5H-431S
TL;DR: 5H-431S (CAS 338954-02-2) is a chemical compound with molecular formula C19H20Cl2N4O2S2 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
Also Known As: 5H-431S, 4-chloro-N-(1-{5-[(2-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)benzenesulfonamide, 4-chloro-N-[1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]benzene-1-sulfonamide, 4-chloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide, 4-chloro-N-[1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
| Molecular Formula | C19H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 4.9366 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.04047 |
| Heavy Atoms | 29 |
| Complexity | 1085.8435 |
Chemical Identifiers
| CAS Number | 338954-02-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
5H-431S (CAS 338954-02-2), with molecular formula C19H20Cl2N4O2S2 and molecular weight 470.04 g/mol. IUPAC: 4-chloro-N-[1-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.
Chemical Property Profile of 5H-431S
Property Insights of 5H-431S
The XLogP value of 4.9366 indicates that 5H-431S 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 5H-431S. Following Lipinski's Rule of Five, 5H-431S 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 5H-431S?
The CAS number of 5H-431S is 338954-02-2.
What is the molecular formula of 5H-431S?
The molecular formula of 5H-431S is C19H20Cl2N4O2S2.
What is the molecular weight of 5H-431S?
The molecular weight of 5H-431S is 470.04 g/mol.
Where can I buy 5H-431S?
You can request a quote for 5H-431S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-431S?
Yes, KEHONG BIO provides custom synthesis services for 5H-431S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.