AB00768567-01
TL;DR: AB00768567-01 (CAS 893945-66-9) is a chemical compound with molecular formula C23H31ClN6O2 and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB00768567-01, 7-butyl-8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-butyl-8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-butyl-8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-butyl-8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H31ClN6O2 |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 2.51782 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.2197 |
| Heavy Atoms | 32 |
| Complexity | 1250.0758 |
Chemical Identifiers
| CAS Number | 893945-66-9 |
|---|---|
| SMILES | CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C |
Product Overview
AB00768567-01 (CAS 893945-66-9), with molecular formula C23H31ClN6O2 and molecular weight 458.22 g/mol. IUPAC: 7-butyl-8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00768567-01
Property Insights of AB00768567-01
The XLogP value of 2.51782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00768567-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00768567-01. Following Lipinski's Rule of Five, AB00768567-01 has 0 hydrogen bond donor(s) and 5 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 AB00768567-01?
The CAS number of AB00768567-01 is 893945-66-9.
What is the molecular formula of AB00768567-01?
The molecular formula of AB00768567-01 is C23H31ClN6O2.
What is the molecular weight of AB00768567-01?
The molecular weight of AB00768567-01 is 458.22 g/mol.
Where can I buy AB00768567-01?
You can request a quote for AB00768567-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00768567-01?
Yes, KEHONG BIO provides custom synthesis services for AB00768567-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.