AB00763980-01
TL;DR: AB00763980-01 (CAS 398997-37-0) is a chemical compound with molecular formula C18H18ClFN6O2 and molecular weight 404.12 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]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: AB00763980-01, 8-{[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]amino}-1,3-dimethyl-7-(2-methy lprop-2-enyl)-1,3,7-trihydropurine-2,6-dione, 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
| Molecular Formula | C18H18ClFN6O2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 2.2483 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1164 |
| Heavy Atoms | 28 |
| Complexity | 1217.3224 |
Chemical Identifiers
| CAS Number | 398997-37-0 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1N/N=C/C3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C |
Product Overview
AB00763980-01 (CAS 398997-37-0), with molecular formula C18H18ClFN6O2 and molecular weight 404.12 g/mol. IUPAC: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of AB00763980-01
Property Insights of AB00763980-01
The XLogP value of 2.2483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00763980-01. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00763980-01. Following Lipinski's Rule of Five, AB00763980-01 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 AB00763980-01?
The CAS number of AB00763980-01 is 398997-37-0.
What is the molecular formula of AB00763980-01?
The molecular formula of AB00763980-01 is C18H18ClFN6O2.
What is the molecular weight of AB00763980-01?
The molecular weight of AB00763980-01 is 404.12 g/mol.
Where can I buy AB00763980-01?
You can request a quote for AB00763980-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00763980-01?
Yes, KEHONG BIO provides custom synthesis services for AB00763980-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.