马拉韦罗
TL;DR: 马拉韦罗 (CAS 674782-29-7) 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.
马拉韦罗
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
Also Known As: Maraviroc, Selzentry, Celsentri, maravirocum, maravirok
| Molecular Formula | C29H41F2N5O |
|---|---|
| Molecular Weight | 513.33 g/mol |
| LogP | 5.95092 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.32794 |
| Heavy Atoms | 37 |
| Complexity | 1047.5043 |
Chemical Identifiers
| CAS Number | 674782-29-7 |
|---|---|
| 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 |
Product Overview
马拉韦罗 (CAS 674782-29-7), with molecular formula C29H41F2N5O and molecular weight 513.33 g/mol. IUPAC: 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.
Chemical Property Profile of 马拉韦罗
Property Insights of 马拉韦罗
The XLogP value of 5.95092 indicates that 马拉韦罗 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 马拉韦罗. Following Lipinski's Rule of Five, 马拉韦罗 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 马拉韦罗?
The CAS number of 马拉韦罗 is 674782-29-7.
What is the molecular formula of 马拉韦罗?
The molecular formula of 马拉韦罗 is C29H41F2N5O.
What is the molecular weight of 马拉韦罗?
The molecular weight of 马拉韦罗 is 513.33 g/mol.
Where can I buy 马拉韦罗?
You can request a quote for 马拉韦罗 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马拉韦罗?
Yes, KEHONG BIO provides custom synthesis services for 马拉韦罗 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.