AB00768982-01
TL;DR: AB00768982-01 (CAS 893945-51-2) is a chemical compound with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: AB00768982-01, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione, F1890-0133, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H27ClN6O2 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 1.73762 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.18842 |
| Heavy Atoms | 30 |
| Complexity | 1216.9303 |
Chemical Identifiers
| CAS Number | 893945-51-2 |
|---|---|
| SMILES | CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C |
Product Overview
AB00768982-01 (CAS 893945-51-2), with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00768982-01
Property Insights of AB00768982-01
The XLogP value of 1.73762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00768982-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00768982-01. Following Lipinski's Rule of Five, AB00768982-01 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 AB00768982-01?
The CAS number of AB00768982-01 is 893945-51-2.
What is the molecular formula of AB00768982-01?
The molecular formula of AB00768982-01 is C21H27ClN6O2.
What is the molecular weight of AB00768982-01?
The molecular weight of AB00768982-01 is 430.19 g/mol.
Where can I buy AB00768982-01?
You can request a quote for AB00768982-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00768982-01?
Yes, KEHONG BIO provides custom synthesis services for AB00768982-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.