6K-336S
TL;DR: 6K-336S (CAS 318959-29-4) is a chemical compound with molecular formula C19H12Cl2F6N2O3S and molecular weight 531.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrazole
Also Known As: 6K-336S, 5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]sulfonyl}methyl)-1H-pyrazole, 5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrazole, 5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-{[3-(trifluoromethyl)benzenesulfonyl]methyl}-1H-pyrazole, 5-(2,4-DICHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-4-(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)METHYL)-1H-PYRAZOLE
| Molecular Formula | C19H12Cl2F6N2O3S |
|---|---|
| Molecular Weight | 531.99 g/mol |
| LogP | 6.5307 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.985 |
| Heavy Atoms | 33 |
| Complexity | 1303.8325 |
Chemical Identifiers
| CAS Number | 318959-29-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)OC3=C(C=C(C=C3)Cl)Cl |
Product Overview
6K-336S (CAS 318959-29-4), with molecular formula C19H12Cl2F6N2O3S and molecular weight 531.99 g/mol. IUPAC: 5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrazole.
Chemical Property Profile of 6K-336S
Property Insights of 6K-336S
The XLogP value of 6.5307 indicates that 6K-336S 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-336S. Following Lipinski's Rule of Five, 6K-336S 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-336S?
The CAS number of 6K-336S is 318959-29-4.
What is the molecular formula of 6K-336S?
The molecular formula of 6K-336S is C19H12Cl2F6N2O3S.
What is the molecular weight of 6K-336S?
The molecular weight of 6K-336S is 531.99 g/mol.
Where can I buy 6K-336S?
You can request a quote for 6K-336S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-336S?
Yes, KEHONG BIO provides custom synthesis services for 6K-336S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.