12L-915
TL;DR: 12L-915 (CAS 477709-55-0) is a chemical compound with molecular formula C20H11ClF6N6O2 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: 12L-915, 6-(1-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-1H-pyrazol-5-yl)-4-methyl-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione, 6-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 6-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-yl}-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 6-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-5-yl}-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C20H11ClF6N6O2 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 3.8699 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.05365 |
| Heavy Atoms | 35 |
| Complexity | 1553.4187 |
Chemical Identifiers
| CAS Number | 477709-55-0 |
|---|---|
| SMILES | CN1C(=O)C(=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=NN3C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
12L-915 (CAS 477709-55-0), with molecular formula C20H11ClF6N6O2 and molecular weight 516.05 g/mol. IUPAC: 6-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 12L-915
Property Insights of 12L-915
The XLogP value of 3.8699 indicates that 12L-915 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12L-915. Following Lipinski's Rule of Five, 12L-915 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12L-915?
The CAS number of 12L-915 is 477709-55-0.
What is the molecular formula of 12L-915?
The molecular formula of 12L-915 is C20H11ClF6N6O2.
What is the molecular weight of 12L-915?
The molecular weight of 12L-915 is 516.05 g/mol.
Where can I buy 12L-915?
You can request a quote for 12L-915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12L-915?
Yes, KEHONG BIO provides custom synthesis services for 12L-915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.