6K-318S
TL;DR: 6K-318S (CAS 318959-16-9) is a chemical compound with molecular formula C19H13ClF6N2O3S and molecular weight 498.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole
Also Known As: 6K-318S, 4-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole, 4-[(4-chlorobenzenesulfonyl)methyl]-1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole, 4-chlorophenyl {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl sulfone, 4-([(4-CHLOROPHENYL)SULFONYL]METHYL)-1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE
| Molecular Formula | C19H13ClF6N2O3S |
|---|---|
| Molecular Weight | 498.02 g/mol |
| LogP | 5.8773 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.02396 |
| Heavy Atoms | 32 |
| Complexity | 1235.4294 |
Chemical Identifiers
| CAS Number | 318959-16-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
6K-318S (CAS 318959-16-9), with molecular formula C19H13ClF6N2O3S and molecular weight 498.02 g/mol. IUPAC: 4-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole.
Chemical Property Profile of 6K-318S
Property Insights of 6K-318S
The XLogP value of 5.8773 indicates that 6K-318S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 6K-318S. Following Lipinski's Rule of Five, 6K-318S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6K-318S?
The CAS number of 6K-318S is 318959-16-9.
What is the molecular formula of 6K-318S?
The molecular formula of 6K-318S is C19H13ClF6N2O3S.
What is the molecular weight of 6K-318S?
The molecular weight of 6K-318S is 498.02 g/mol.
Where can I buy 6K-318S?
You can request a quote for 6K-318S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-318S?
Yes, KEHONG BIO provides custom synthesis services for 6K-318S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.