6K-531S
TL;DR: 6K-531S (CAS 338965-81-4) is a chemical compound with molecular formula C20H16F3N3O2S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate
Also Known As: 6K-531S, ethyl 3-(4-methylphenyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate, Ethyl 3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate
| Molecular Formula | C20H16F3N3O2S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 5.19372 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.09152 |
| Heavy Atoms | 29 |
| Complexity | 1024.2252 |
Chemical Identifiers
| CAS Number | 338965-81-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
6K-531S (CAS 338965-81-4), with molecular formula C20H16F3N3O2S and molecular weight 419.09 g/mol. IUPAC: ethyl 3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 6K-531S
Property Insights of 6K-531S
The XLogP value of 5.19372 indicates that 6K-531S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 6K-531S. Following Lipinski's Rule of Five, 6K-531S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6K-531S?
The CAS number of 6K-531S is 338965-81-4.
What is the molecular formula of 6K-531S?
The molecular formula of 6K-531S is C20H16F3N3O2S.
What is the molecular weight of 6K-531S?
The molecular weight of 6K-531S is 419.09 g/mol.
Where can I buy 6K-531S?
You can request a quote for 6K-531S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-531S?
Yes, KEHONG BIO provides custom synthesis services for 6K-531S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.