Aplaviroc Hydrochloride
TL;DR: Aplaviroc Hydrochloride (CAS 461023-63-2) is a chemical compound with molecular formula C33H44ClN3O6 and molecular weight 613.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride
Also Known As: Aplaviroc hydrochloride, Aplaviroc HCl, aplaviroc, Aplaviroc (hydrochloride), Aplaviroc-hydrochloride
| Molecular Formula | C33H44ClN3O6 |
|---|---|
| Molecular Weight | 613.29 g/mol |
| LogP | 5.0018 |
| Topological Polar Surface Area | 119.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 613.2919 |
| Heavy Atoms | 43 |
| Complexity | 1240.2893 |
Chemical Identifiers
| CAS Number | 461023-63-2 |
|---|---|
| SMILES | CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O.Cl |
Product Overview
Aplaviroc Hydrochloride (CAS 461023-63-2), with molecular formula C33H44ClN3O6 and molecular weight 613.29 g/mol. IUPAC: 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride.
Chemical Property Profile of Aplaviroc Hydrochloride
Property Insights of Aplaviroc Hydrochloride
The XLogP value of 5.0018 indicates that Aplaviroc Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Aplaviroc Hydrochloride. Following Lipinski's Rule of Five, Aplaviroc Hydrochloride has 3 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 Aplaviroc Hydrochloride?
The CAS number of Aplaviroc Hydrochloride is 461023-63-2.
What is the molecular formula of Aplaviroc Hydrochloride?
The molecular formula of Aplaviroc Hydrochloride is C33H44ClN3O6.
What is the molecular weight of Aplaviroc Hydrochloride?
The molecular weight of Aplaviroc Hydrochloride is 613.29 g/mol.
Where can I buy Aplaviroc Hydrochloride?
You can request a quote for Aplaviroc Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplaviroc Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aplaviroc Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.