AB00430801-08
TL;DR: AB00430801-08 (CAS 862979-69-9) is a chemical compound with molecular formula C19H22ClFN6O2 and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: AB00430801-08, 7-(2-chloro-6-fluorobenzyl)-3-methyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, F0669-0513, 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-6-hydroxy-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H22ClFN6O2 |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 1.0115 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.14767 |
| Heavy Atoms | 29 |
| Complexity | 1155.6317 |
Chemical Identifiers
| CAS Number | 862979-69-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C |
Product Overview
AB00430801-08 (CAS 862979-69-9), with molecular formula C19H22ClFN6O2 and molecular weight 420.15 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of AB00430801-08
Property Insights of AB00430801-08
The XLogP value of 1.0115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00430801-08. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00430801-08. Following Lipinski's Rule of Five, AB00430801-08 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 AB00430801-08?
The CAS number of AB00430801-08 is 862979-69-9.
What is the molecular formula of AB00430801-08?
The molecular formula of AB00430801-08 is C19H22ClFN6O2.
What is the molecular weight of AB00430801-08?
The molecular weight of AB00430801-08 is 420.15 g/mol.
Where can I buy AB00430801-08?
You can request a quote for AB00430801-08 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00430801-08?
Yes, KEHONG BIO provides custom synthesis services for AB00430801-08 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.