4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopro… 2414315-81-2

Name: 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide
Brand: Vaqora Chemicals
SKU: VQ-049012

About 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide

4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide is a process intermediate or related compound of Maraviroc carrying the CAS registry number 2414315-81-2. The compound has the formula C29H41F2N5O, corresponding to a molecular weight of 513.7 g/mol. It is also known as (3H)maraviroc or [3H]maraviroc.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Handle it with standard laboratory precautions and appropriate personal protective equipment.

It is a process intermediate or related compound in the synthesis of Maraviroc, useful for route development, impurity fate-and-purge studies and analytical method development. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Maraviroc

View every impurity, metabolite and intermediate we list for Maraviroc.

Maraviroc impurities

Specifications & identifiers

Chemical identifiers
Product name	4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide
Catalogue No.	VQ-049012
CAS Number	2414315-81-2
IUPAC name	4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
Molecular formula	C₂₉H₄₁F₂N₅O
Molecular weight	513.7 g/mol
Exact mass	513.3279
HSN code	2933
InChIKey	GSNHKUDZZFZSJB-HLMSNRGBSA-N
SMILES	CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
PubChem CID	3002977

Physical properties
Physical form	Solid
LogP (XLogP3)	5.1
H-bond donors / acceptors	1 / 6
TPSA	63.1 Å²
Synonyms	(3H)maraviroc, [3H]maraviroc, Celsentri(TM), Selzentry(TM), PRO 140 & Maraviroc, Rel-Maraviroc, Maraviroc, endo-, UK-427,857 maraviroc (MVC), [3H]UK 427,857, [3H]UK-427,857, EX-A200

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide?

The CAS Registry Number of 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide is 2414315-81-2. It is also known as (3H)maraviroc, [3H]maraviroc, Celsentri(TM).

What is the molecular formula and molecular weight of 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide?

4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide has the molecular formula C29H41F2N5O and a molecular weight of 513.7 g/mol. Its IUPAC name is 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide.

What is 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide used for?

4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide is supplied as a characterised reference material related to Maraviroc. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide can I order?

We supply 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide?

Yes. Every lot of 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide be shipped internationally?

Yes. We export 4,4-Difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.