6H-408S
TL;DR: 6H-408S (CAS 338794-29-9) is a chemical compound with molecular formula C25H22ClF3N4O2S2 and molecular weight 566.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide
Also Known As: 6H-408S, 4-chloro-N-[1-(4-methyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide, 4-chloro-N-[1-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide, 4-chloro-N-{1-[4-methyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzene-1-sulfonamide, 4-chloro-N-{1-[4-methyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,2,4-triazol-3-yl]-2-phenylethyl}benzenesulfonamide
| Molecular Formula | C25H22ClF3N4O2S2 |
|---|---|
| Molecular Weight | 566.08 g/mol |
| LogP | 6.0419 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.08246 |
| Heavy Atoms | 37 |
| Complexity | 1444.2975 |
Chemical Identifiers
| CAS Number | 338794-29-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
6H-408S (CAS 338794-29-9), with molecular formula C25H22ClF3N4O2S2 and molecular weight 566.08 g/mol. IUPAC: 4-chloro-N-[1-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide.
Chemical Property Profile of 6H-408S
Property Insights of 6H-408S
The XLogP value of 6.0419 indicates that 6H-408S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-408S. Following Lipinski's Rule of Five, 6H-408S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-408S?
The CAS number of 6H-408S is 338794-29-9.
What is the molecular formula of 6H-408S?
The molecular formula of 6H-408S is C25H22ClF3N4O2S2.
What is the molecular weight of 6H-408S?
The molecular weight of 6H-408S is 566.08 g/mol.
Where can I buy 6H-408S?
You can request a quote for 6H-408S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-408S?
Yes, KEHONG BIO provides custom synthesis services for 6H-408S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.