AB00679717-01
TL;DR: AB00679717-01 (CAS 898442-69-8) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethylphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: AB00679717-01, 9-(3,4-dimethylphenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, F2565-0186, 9-(3,4-dimethylphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide, 9-(3,4-dimethylphenyl)-8-oxo-2-(p-tolyl)-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.79996 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 1282.8877 |
Chemical Identifiers
| CAS Number | 898442-69-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)C)C)C(=O)N |
Product Overview
AB00679717-01 (CAS 898442-69-8), with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol. IUPAC: 9-(3,4-dimethylphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of AB00679717-01
Property Insights of AB00679717-01
The XLogP value of 2.79996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679717-01. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679717-01. Following Lipinski's Rule of Five, AB00679717-01 has 2 hydrogen bond donor(s) and 4 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 AB00679717-01?
The CAS number of AB00679717-01 is 898442-69-8.
What is the molecular formula of AB00679717-01?
The molecular formula of AB00679717-01 is C21H19N5O2.
What is the molecular weight of AB00679717-01?
The molecular weight of AB00679717-01 is 373.15 g/mol.
Where can I buy AB00679717-01?
You can request a quote for AB00679717-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679717-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679717-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.