aplaviroc
TL;DR: aplaviroc (CAS 675184-11-9) is a chemical compound with molecular formula C33H43N3O6 and molecular weight 577.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Also Known As: aplaviroc, Aplaviroc HCl, 5-methyl orotate, Aplaviroc hydrochloride, 873140 Compound
| Molecular Formula | C33H43N3O6 |
|---|---|
| Molecular Weight | 577.32 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 577.3152 |
| Heavy Atoms | 42 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 675184-11-9 |
|---|---|
| SMILES | CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O |
| InChIKey | GWNOTCOIYUNTQP-YPJJGMIRSA-N |
Product Overview
aplaviroc (CAS 675184-11-9), with molecular formula C33H43N3O6 and molecular weight 577.32 g/mol. IUPAC: 4-[4-[[1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid.
Chemical Property Profile of aplaviroc
Property Insights of aplaviroc
The XLogP value of 3.1 indicates that aplaviroc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for aplaviroc. Following Lipinski's Rule of Five, aplaviroc has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of aplaviroc?
The CAS number of aplaviroc is 675184-11-9.
What is the molecular formula of aplaviroc?
The molecular formula of aplaviroc is C33H43N3O6.
What is the molecular weight of aplaviroc?
The molecular weight of aplaviroc is 577.32 g/mol.
Where can I buy aplaviroc?
You can request a quote for aplaviroc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aplaviroc?
Yes, KEHONG BIO provides custom synthesis services for aplaviroc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.