AB00679662-01
TL;DR: AB00679662-01 (CAS 898442-06-3) is a chemical compound with molecular formula C17H12FN5O2S and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-fluorophenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide
Also Known As: AB00679662-01, F2565-0050, 9-(2-fluorophenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide, 9-(2-fluorophenyl)-2-(3-methylthiophen-2-yl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, 9-(o-fluorophenyl)-2-(3-methyl-2-thienyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C17H12FN5O2S |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 2.38372 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.06958 |
| Heavy Atoms | 26 |
| Complexity | 1223.5945 |
Chemical Identifiers
| CAS Number | 898442-06-3 |
|---|---|
| SMILES | CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4F)C(=O)N |
Product Overview
AB00679662-01 (CAS 898442-06-3), with molecular formula C17H12FN5O2S and molecular weight 369.07 g/mol. IUPAC: 9-(2-fluorophenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of AB00679662-01
Property Insights of AB00679662-01
The XLogP value of 2.38372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679662-01. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679662-01. Following Lipinski's Rule of Five, AB00679662-01 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 AB00679662-01?
The CAS number of AB00679662-01 is 898442-06-3.
What is the molecular formula of AB00679662-01?
The molecular formula of AB00679662-01 is C17H12FN5O2S.
What is the molecular weight of AB00679662-01?
The molecular weight of AB00679662-01 is 369.07 g/mol.
Where can I buy AB00679662-01?
You can request a quote for AB00679662-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679662-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679662-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.