AB00680155-01
TL;DR: AB00680155-01 (CAS 879593-32-5) is a chemical compound with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: AB00680155-01, 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0133, 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 8-[4-(3-chlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H29ClN6O2 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 2.445 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.20404 |
| Heavy Atoms | 31 |
| Complexity | 1186.9098 |
Chemical Identifiers
| CAS Number | 879593-32-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C |
Product Overview
AB00680155-01 (CAS 879593-32-5), with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol. IUPAC: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of AB00680155-01
Property Insights of AB00680155-01
The XLogP value of 2.445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680155-01. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680155-01. Following Lipinski's Rule of Five, AB00680155-01 has 1 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 AB00680155-01?
The CAS number of AB00680155-01 is 879593-32-5.
What is the molecular formula of AB00680155-01?
The molecular formula of AB00680155-01 is C22H29ClN6O2.
What is the molecular weight of AB00680155-01?
The molecular weight of AB00680155-01 is 444.20 g/mol.
Where can I buy AB00680155-01?
You can request a quote for AB00680155-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680155-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680155-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.