5K-611S
TL;DR: 5K-611S (CAS 338957-58-7) is a chemical compound with molecular formula C19H13ClF3N3O2S and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
Also Known As: 5K-611S, ethyl 5-[(3-chlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate, Ethyl 5-(3-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate, ethyl5-[(3-chlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
| Molecular Formula | C19H13ClF3N3O2S |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 5.5387 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0369 |
| Heavy Atoms | 29 |
| Complexity | 1047.2031 |
Chemical Identifiers
| CAS Number | 338957-58-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)SC3=CC(=CC=C3)Cl |
Product Overview
5K-611S (CAS 338957-58-7), with molecular formula C19H13ClF3N3O2S and molecular weight 439.04 g/mol. IUPAC: ethyl 5-(3-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 5K-611S
Property Insights of 5K-611S
The XLogP value of 5.5387 indicates that 5K-611S 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 5K-611S. Following Lipinski's Rule of Five, 5K-611S 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 5K-611S?
The CAS number of 5K-611S is 338957-58-7.
What is the molecular formula of 5K-611S?
The molecular formula of 5K-611S is C19H13ClF3N3O2S.
What is the molecular weight of 5K-611S?
The molecular weight of 5K-611S is 439.04 g/mol.
Where can I buy 5K-611S?
You can request a quote for 5K-611S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-611S?
Yes, KEHONG BIO provides custom synthesis services for 5K-611S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.