6H-459S
TL;DR: 6H-459S (CAS 338794-57-3) is a chemical compound with molecular formula C19H21BrN4O3S2 and molecular weight 496.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 6H-459S, 4-bromo-N-({4-ethyl-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide, 4-bromo-N-[(4-ethyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide, 4-bromo-N-[[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
| Molecular Formula | C19H21BrN4O3S2 |
|---|---|
| Molecular Weight | 496.02 g/mol |
| LogP | 3.8399 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.02386 |
| Heavy Atoms | 29 |
| Complexity | 1069.3132 |
Chemical Identifiers
| CAS Number | 338794-57-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
6H-459S (CAS 338794-57-3), with molecular formula C19H21BrN4O3S2 and molecular weight 496.02 g/mol. IUPAC: 4-bromo-N-[[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 6H-459S
Property Insights of 6H-459S
The XLogP value of 3.8399 indicates that 6H-459S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-459S. Following Lipinski's Rule of Five, 6H-459S has 1 hydrogen bond donor(s) and 6 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-459S?
The CAS number of 6H-459S is 338794-57-3.
What is the molecular formula of 6H-459S?
The molecular formula of 6H-459S is C19H21BrN4O3S2.
What is the molecular weight of 6H-459S?
The molecular weight of 6H-459S is 496.02 g/mol.
Where can I buy 6H-459S?
You can request a quote for 6H-459S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-459S?
Yes, KEHONG BIO provides custom synthesis services for 6H-459S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.