AB00676431-01
TL;DR: AB00676431-01 (CAS 869068-38-2) is a chemical compound with molecular formula C12H10F3N5O2S and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00676431-01, F1847-0165, 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C12H10F3N5O2S |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 1.1017 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.05072 |
| Heavy Atoms | 23 |
| Complexity | 777.77686 |
Chemical Identifiers
| CAS Number | 869068-38-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=CC(=O)N2N |
Product Overview
AB00676431-01 (CAS 869068-38-2), with molecular formula C12H10F3N5O2S and molecular weight 345.05 g/mol. IUPAC: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00676431-01
Property Insights of AB00676431-01
The XLogP value of 1.1017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676431-01. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676431-01. Following Lipinski's Rule of Five, AB00676431-01 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 AB00676431-01?
The CAS number of AB00676431-01 is 869068-38-2.
What is the molecular formula of AB00676431-01?
The molecular formula of AB00676431-01 is C12H10F3N5O2S.
What is the molecular weight of AB00676431-01?
The molecular weight of AB00676431-01 is 345.05 g/mol.
Where can I buy AB00676431-01?
You can request a quote for AB00676431-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676431-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676431-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.