12L-912
TL;DR: 12L-912 (CAS 477709-54-9) is a chemical compound with molecular formula C20H13ClF3N5O2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3-chlorophenyl)pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: 12L-912, 6-(1-(3-Chlorophenyl)-1h-pyrazol-5-yl)-4-methyl-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione, 6-[1-(3-chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 6-[2-(3-chlorophenyl)pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 6-[1-(3-chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C20H13ClF3N5O2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 3.4561 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.07098 |
| Heavy Atoms | 31 |
| Complexity | 1404.9287 |
Chemical Identifiers
| CAS Number | 477709-54-9 |
|---|---|
| SMILES | CN1C(=O)C(=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=NN3C4=CC(=CC=C4)Cl |
Product Overview
12L-912 (CAS 477709-54-9), with molecular formula C20H13ClF3N5O2 and molecular weight 447.07 g/mol. IUPAC: 6-[2-(3-chlorophenyl)pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 12L-912
Property Insights of 12L-912
The XLogP value of 3.4561 indicates that 12L-912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 12L-912. Following Lipinski's Rule of Five, 12L-912 has 0 hydrogen bond donor(s) and 4 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-912?
The CAS number of 12L-912 is 477709-54-9.
What is the molecular formula of 12L-912?
The molecular formula of 12L-912 is C20H13ClF3N5O2.
What is the molecular weight of 12L-912?
The molecular weight of 12L-912 is 447.07 g/mol.
Where can I buy 12L-912?
You can request a quote for 12L-912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12L-912?
Yes, KEHONG BIO provides custom synthesis services for 12L-912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.