AB00679758-01
TL;DR: AB00679758-01 (CAS 898422-61-2) is a chemical compound with molecular formula C20H16FN5O4 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: AB00679758-01, 9-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, F2565-0291, 9-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
| Molecular Formula | C20H16FN5O4 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 2.031 |
| Topological Polar Surface Area | 125.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.11862 |
| Heavy Atoms | 30 |
| Complexity | 1345.0272 |
Chemical Identifiers
| CAS Number | 898422-61-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4F)OC |
Product Overview
AB00679758-01 (CAS 898422-61-2), with molecular formula C20H16FN5O4 and molecular weight 409.12 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of AB00679758-01
Property Insights of AB00679758-01
The XLogP value of 2.031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679758-01. The TPSA of 125.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679758-01. Following Lipinski's Rule of Five, AB00679758-01 has 2 hydrogen bond donor(s) and 6 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 AB00679758-01?
The CAS number of AB00679758-01 is 898422-61-2.
What is the molecular formula of AB00679758-01?
The molecular formula of AB00679758-01 is C20H16FN5O4.
What is the molecular weight of AB00679758-01?
The molecular weight of AB00679758-01 is 409.12 g/mol.
Where can I buy AB00679758-01?
You can request a quote for AB00679758-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679758-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679758-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.