6H-454S
TL;DR: 6H-454S (CAS 338794-52-8) is a chemical compound with molecular formula C19H18BrF3N4O2S2 and molecular weight 534.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 6H-454S, 4-bromo-N-[(4-ethyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-bromo-N-[[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide, 4-bromo-N-{[4-ethyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C19H18BrF3N4O2S2 |
|---|---|
| Molecular Weight | 534.00 g/mol |
| LogP | 4.8501 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.0007 |
| Heavy Atoms | 31 |
| Complexity | 1132.4547 |
Chemical Identifiers
| CAS Number | 338794-52-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
6H-454S (CAS 338794-52-8), with molecular formula C19H18BrF3N4O2S2 and molecular weight 534.00 g/mol. IUPAC: 4-bromo-N-[[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 6H-454S
Property Insights of 6H-454S
The XLogP value of 4.8501 indicates that 6H-454S 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-454S. Following Lipinski's Rule of Five, 6H-454S 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-454S?
The CAS number of 6H-454S is 338794-52-8.
What is the molecular formula of 6H-454S?
The molecular formula of 6H-454S is C19H18BrF3N4O2S2.
What is the molecular weight of 6H-454S?
The molecular weight of 6H-454S is 534.00 g/mol.
Where can I buy 6H-454S?
You can request a quote for 6H-454S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-454S?
Yes, KEHONG BIO provides custom synthesis services for 6H-454S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.