AB00681276-01
TL;DR: AB00681276-01 (CAS 886966-00-3) is a chemical compound with molecular formula C13H11ClF3N5O2S and molecular weight 393.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00681276-01, 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, F2714-0669, 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C13H11ClF3N5O2S |
|---|---|
| Molecular Weight | 393.03 g/mol |
| LogP | 2.06352 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0274 |
| Heavy Atoms | 25 |
| Complexity | 871.71857 |
Chemical Identifiers
| CAS Number | 886966-00-3 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F |
Product Overview
AB00681276-01 (CAS 886966-00-3), with molecular formula C13H11ClF3N5O2S and molecular weight 393.03 g/mol. IUPAC: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00681276-01
Property Insights of AB00681276-01
The XLogP value of 2.06352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681276-01. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681276-01. Following Lipinski's Rule of Five, AB00681276-01 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 AB00681276-01?
The CAS number of AB00681276-01 is 886966-00-3.
What is the molecular formula of AB00681276-01?
The molecular formula of AB00681276-01 is C13H11ClF3N5O2S.
What is the molecular weight of AB00681276-01?
The molecular weight of AB00681276-01 is 393.03 g/mol.
Where can I buy AB00681276-01?
You can request a quote for AB00681276-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681276-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681276-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.