4H-427S
TL;DR: 4H-427S (CAS 338421-63-9) is a chemical compound with molecular formula C17H16BrClN4O2S2 and molecular weight 485.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 4H-427S, 4-bromo-N-({5-[(3-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide, 4-bromo-N-[(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide, 4-bromo-N-[[5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
| Molecular Formula | C17H16BrClN4O2S2 |
|---|---|
| Molecular Weight | 485.96 g/mol |
| LogP | 4.0018 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.95865 |
| Heavy Atoms | 27 |
| Complexity | 1039.3419 |
Chemical Identifiers
| CAS Number | 338421-63-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)Cl)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4H-427S (CAS 338421-63-9), with molecular formula C17H16BrClN4O2S2 and molecular weight 485.96 g/mol. IUPAC: 4-bromo-N-[[5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 4H-427S
Property Insights of 4H-427S
The XLogP value of 4.0018 indicates that 4H-427S 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 4H-427S. Following Lipinski's Rule of Five, 4H-427S 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 4H-427S?
The CAS number of 4H-427S is 338421-63-9.
What is the molecular formula of 4H-427S?
The molecular formula of 4H-427S is C17H16BrClN4O2S2.
What is the molecular weight of 4H-427S?
The molecular weight of 4H-427S is 485.96 g/mol.
Where can I buy 4H-427S?
You can request a quote for 4H-427S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-427S?
Yes, KEHONG BIO provides custom synthesis services for 4H-427S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.