6H-458S
TL;DR: 6H-458S (CAS 338794-56-2) is a chemical compound with molecular formula C15H19BrN4O2S2 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[4-ethyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 6H-458S, 4-bromo-N-({4-ethyl-5-[(2-methyl-2-propenyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide, 4-bromo-N-[[4-ethyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide, 4-bromo-N-({4-ethyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzene-1-sulfonamide
| Molecular Formula | C15H19BrN4O2S2 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 3.2072 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.01328 |
| Heavy Atoms | 24 |
| Complexity | 816.49963 |
Chemical Identifiers
| CAS Number | 338794-56-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=C)C)CNS(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
6H-458S (CAS 338794-56-2), with molecular formula C15H19BrN4O2S2 and molecular weight 430.01 g/mol. IUPAC: 4-bromo-N-[[4-ethyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 6H-458S
Property Insights of 6H-458S
The XLogP value of 3.2072 indicates that 6H-458S 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-458S. Following Lipinski's Rule of Five, 6H-458S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-458S?
The CAS number of 6H-458S is 338794-56-2.
What is the molecular formula of 6H-458S?
The molecular formula of 6H-458S is C15H19BrN4O2S2.
What is the molecular weight of 6H-458S?
The molecular weight of 6H-458S is 430.01 g/mol.
Where can I buy 6H-458S?
You can request a quote for 6H-458S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-458S?
Yes, KEHONG BIO provides custom synthesis services for 6H-458S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.