Maraviroc
TL;DR: Maraviroc (CAS 3786-88-7) is a chemical compound with molecular formula C29H41F2N5O and molecular weight 513.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-difluoro-N-[(1S)-3-[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
Also Known As: Maraviroc, Celsentri, Selzentry, US9107954, maraviroc, Maraviroc (UK427857)
| Molecular Formula | C29H41F2N5O |
|---|---|
| Molecular Weight | 513.33 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.32794 |
| Heavy Atoms | 37 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 3786-88-7 |
|---|---|
| SMILES | CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C |
| InChIKey | GSNHKUDZZFZSJB-ILVMPNSOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Maraviroc (CAS 3786-88-7), with molecular formula C29H41F2N5O and molecular weight 513.33 g/mol. IUPAC: 4,4-difluoro-N-[(1S)-3-[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.
Chemical Property Profile of Maraviroc
Property Insights of Maraviroc
The XLogP value of 5.1 indicates that Maraviroc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Maraviroc. Following Lipinski's Rule of Five, Maraviroc has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maraviroc?
The CAS number of Maraviroc is 3786-88-7.
What is the molecular formula of Maraviroc?
The molecular formula of Maraviroc is C29H41F2N5O.
What is the molecular weight of Maraviroc?
The molecular weight of Maraviroc is 513.33 g/mol.
Where can I buy Maraviroc?
You can request a quote for Maraviroc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maraviroc?
Yes, KEHONG BIO provides custom synthesis services for Maraviroc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.