12L-914
TL;DR: 12L-914 (CAS 477859-33-9) is a chemical compound with molecular formula C14H9F3N4O3 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-(1,2-oxazol-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: 12L-914, 4-methyl-6-(1,2-oxazol-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 6-(5-Isoxazolyl)-4-methyl-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione, 4-methyl-6-(1,2-oxazol-5-yl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 6-(5-isoxazolyl)-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C14H9F3N4O3 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 1.605 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.06268 |
| Heavy Atoms | 24 |
| Complexity | 1003.33466 |
Chemical Identifiers
| CAS Number | 477859-33-9 |
|---|---|
| SMILES | CN1C(=O)C(=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=NO3 |
Product Overview
12L-914 (CAS 477859-33-9), with molecular formula C14H9F3N4O3 and molecular weight 338.06 g/mol. IUPAC: 4-methyl-6-(1,2-oxazol-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 12L-914
Property Insights of 12L-914
The XLogP value of 1.605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12L-914. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 12L-914. Following Lipinski's Rule of Five, 12L-914 has 0 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 12L-914?
The CAS number of 12L-914 is 477859-33-9.
What is the molecular formula of 12L-914?
The molecular formula of 12L-914 is C14H9F3N4O3.
What is the molecular weight of 12L-914?
The molecular weight of 12L-914 is 338.06 g/mol.
Where can I buy 12L-914?
You can request a quote for 12L-914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12L-914?
Yes, KEHONG BIO provides custom synthesis services for 12L-914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.