6K-554S
TL;DR: 6K-554S (CAS 338965-93-8) is a chemical compound with molecular formula C17H12F3N3O2S2 and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate
Also Known As: 6K-554S, Ethyl 3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate, ethyl 3-(2-thienyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate, ethyl 3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate, ethyl3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate
| Molecular Formula | C17H12F3N3O2S2 |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 4.9468 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.03232 |
| Heavy Atoms | 27 |
| Complexity | 946.84674 |
Chemical Identifiers
| CAS Number | 338965-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
6K-554S (CAS 338965-93-8), with molecular formula C17H12F3N3O2S2 and molecular weight 411.03 g/mol. IUPAC: ethyl 3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 6K-554S
Property Insights of 6K-554S
The XLogP value of 4.9468 indicates that 6K-554S 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-554S. Following Lipinski's Rule of Five, 6K-554S has 0 hydrogen bond donor(s) and 7 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 6K-554S?
The CAS number of 6K-554S is 338965-93-8.
What is the molecular formula of 6K-554S?
The molecular formula of 6K-554S is C17H12F3N3O2S2.
What is the molecular weight of 6K-554S?
The molecular weight of 6K-554S is 411.03 g/mol.
Where can I buy 6K-554S?
You can request a quote for 6K-554S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-554S?
Yes, KEHONG BIO provides custom synthesis services for 6K-554S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.