Purvalanol B
TL;DR: Purvalanol B (CAS 212844-54-7) is a chemical compound with molecular formula C20H25ClN6O3 and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
Also Known As: Purvalanol B, 4CA-1058, (2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL, (R)-2-chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzoic acid, 2-chloro-4-[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
| Molecular Formula | C20H25ClN6O3 |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 3.9312 |
| Topological Polar Surface Area | 125.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.16766 |
| Heavy Atoms | 30 |
| Complexity | 1066.1216 |
Chemical Identifiers
| CAS Number | 212844-54-7 |
|---|---|
| SMILES | CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl |
Product Overview
Purvalanol B (CAS 212844-54-7), with molecular formula C20H25ClN6O3 and molecular weight 432.17 g/mol. IUPAC: 2-chloro-4-[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid.
Chemical Property Profile of Purvalanol B
Property Insights of Purvalanol B
The XLogP value of 3.9312 indicates that Purvalanol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Purvalanol B. Following Lipinski's Rule of Five, Purvalanol B has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Purvalanol B?
The CAS number of Purvalanol B is 212844-54-7.
What is the molecular formula of Purvalanol B?
The molecular formula of Purvalanol B is C20H25ClN6O3.
What is the molecular weight of Purvalanol B?
The molecular weight of Purvalanol B is 432.17 g/mol.
Where can I buy Purvalanol B?
You can request a quote for Purvalanol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purvalanol B?
Yes, KEHONG BIO provides custom synthesis services for Purvalanol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.