AB00680157-01
TL;DR: AB00680157-01 (CAS 879587-33-4) is a chemical compound with molecular formula C22H28ClFN6O2 and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: AB00680157-01, AB00680157-02, 8-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0135, 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
| Molecular Formula | C22H28ClFN6O2 |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 2.5841 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.19464 |
| Heavy Atoms | 32 |
| Complexity | 1219.4225 |
Chemical Identifiers
| CAS Number | 879587-33-4 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N(C(=O)NC2=O)C |
Product Overview
AB00680157-01 (CAS 879587-33-4), with molecular formula C22H28ClFN6O2 and molecular weight 462.19 g/mol. IUPAC: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of AB00680157-01
Property Insights of AB00680157-01
The XLogP value of 2.5841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680157-01. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680157-01. Following Lipinski's Rule of Five, AB00680157-01 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 AB00680157-01?
The CAS number of AB00680157-01 is 879587-33-4.
What is the molecular formula of AB00680157-01?
The molecular formula of AB00680157-01 is C22H28ClFN6O2.
What is the molecular weight of AB00680157-01?
The molecular weight of AB00680157-01 is 462.19 g/mol.
Where can I buy AB00680157-01?
You can request a quote for AB00680157-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680157-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680157-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.