3F-1,2,4-triazine derv.
TL;DR: 3F-1,2,4-triazine derv. (CAS 134794-10-8) is a chemical compound with molecular formula C11H7F3N4O2S and molecular weight 316.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-N-[2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl]acetamide
Also Known As: 3F-1,2,4-triazine derv., NCI60_006876, 3-Thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazin-5(2H,4H)one, Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-, Acetamide, 2,2,2-trifluoro-N-[2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl]-
Technical Specifications
| Molecular Formula | C11H7F3N4O2S |
| Molecular Weight | 316.02417 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.02417 Da |
| Heavy Atoms | 21 |
| Complexity | 506.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)NC(=O)C(F)(F)F |
| InChIKey | OZQNVCWAOORAGI-UHFFFAOYSA-N |
Chemical Property Profile of 3F-1,2,4-triazine derv.
Property Insights of 3F-1,2,4-triazine derv.
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3F-1,2,4-triazine derv.. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3F-1,2,4-triazine derv.. Following Lipinski's Rule of Five, 3F-1,2,4-triazine derv. has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3F-1,2,4-triazine derv.?
The CAS number of 3F-1,2,4-triazine derv. is 134794-10-8.
What is the molecular formula of 3F-1,2,4-triazine derv.?
The molecular formula of 3F-1,2,4-triazine derv. is C11H7F3N4O2S.
What is the molecular weight of 3F-1,2,4-triazine derv.?
The molecular weight of 3F-1,2,4-triazine derv. is 316.02417 g/mol.
Where can I buy 3F-1,2,4-triazine derv.?
You can request a quote for 3F-1,2,4-triazine derv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3F-1,2,4-triazine derv.?
Yes, CoreyChem provides custom synthesis services for 3F-1,2,4-triazine derv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.