AB00782809-01
TL;DR: AB00782809-01 (CAS 682776-53-0) is a chemical compound with molecular formula C17H18ClFN6O2 and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: AB00782809-01, 8-[(E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 2-chloro-6-fluorobenzaldehyde (7-isobutyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 8-{[(1E)-2-(6-chloro-2-fluorophenyl)-1-azavinyl]amino}-3-methyl-7-(2-methylpro pyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C17H18ClFN6O2 |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 2.3178 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1164 |
| Heavy Atoms | 27 |
| Complexity | 1124.5067 |
Chemical Identifiers
| CAS Number | 682776-53-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N/N=C/C3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C |
Product Overview
AB00782809-01 (CAS 682776-53-0), with molecular formula C17H18ClFN6O2 and molecular weight 392.12 g/mol. IUPAC: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of AB00782809-01
Property Insights of AB00782809-01
The XLogP value of 2.3178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00782809-01. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00782809-01. Following Lipinski's Rule of Five, AB00782809-01 has 2 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 AB00782809-01?
The CAS number of AB00782809-01 is 682776-53-0.
What is the molecular formula of AB00782809-01?
The molecular formula of AB00782809-01 is C17H18ClFN6O2.
What is the molecular weight of AB00782809-01?
The molecular weight of AB00782809-01 is 392.12 g/mol.
Where can I buy AB00782809-01?
You can request a quote for AB00782809-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00782809-01?
Yes, KEHONG BIO provides custom synthesis services for AB00782809-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.