![N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide structure](/static/products/3804/380436-84-0.webp)
N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide
TL;DR: N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide (CAS 380436-84-0) is a chemical compound with molecular formula C20H24N4O2S2 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide
Also Known As: N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide, N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide, AB00712659-01, N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide, 3-[4,5-Dihydro-4-(2-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
| Molecular Formula | C20H24N4O2S2 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.88089 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.13406 |
| Heavy Atoms | 28 |
| Complexity | 1084.6484 |
Chemical Identifiers
| CAS Number | 380436-84-0 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3 |
Product Overview
N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide (CAS 380436-84-0), with molecular formula C20H24N4O2S2 and molecular weight 416.13 g/mol. IUPAC: N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide.
Chemical Property Profile of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide
Property Insights of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide
The XLogP value of 3.88089 indicates that N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide. Following Lipinski's Rule of Five, N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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 N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide?
The CAS number of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide is 380436-84-0.
What is the molecular formula of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide?
The molecular formula of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide is C20H24N4O2S2.
What is the molecular weight of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide?
The molecular weight of N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide is 416.13 g/mol.
Where can I buy N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide?
You can request a quote for N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-3-(5-mercapto-4-phenethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.