![N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide structure](/static/products/5226/522606-43-5.webp)
N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
TL;DR: N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (CAS 522606-43-5) is a chemical compound with molecular formula C20H32N4O2S2 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-[5-sulfanylidene-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide
Also Known As: N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide, N,N-Diethyl-3-[5-mercapto-4-(1,1,3,3-tetramethyl-butyl)-4H-[1,2,4]triazol-3-yl]-benzenesulfonamide, n,n-Diethyl-3-(5-mercapto-4-(2,4,4-trimethylpentan-2-yl)-4h-1,2,4-triazol-3-yl)benzenesulfonamide, Benzenesulfonamide, 3-[4,5-dihydro-4-(1,1,3,3-tetramethylbutyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-N,N-diethyl-, N,N-diethyl-3-[4-(1,1,3,3-tetramethylbutyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide
| Molecular Formula | C20H32N4O2S2 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 4.80949 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.19666 |
| Heavy Atoms | 28 |
| Complexity | 978.12 |
Chemical Identifiers
| CAS Number | 522606-43-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C(C)(C)CC(C)(C)C |
Product Overview
N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide (CAS 522606-43-5), with molecular formula C20H32N4O2S2 and molecular weight 424.20 g/mol. IUPAC: N,N-diethyl-3-[5-sulfanylidene-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide.
Chemical Property Profile of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
Property Insights of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
The XLogP value of 4.80949 indicates that N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide 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-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide 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-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The CAS number of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is 522606-43-5.
What is the molecular formula of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The molecular formula of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is C20H32N4O2S2.
What is the molecular weight of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
The molecular weight of N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide is 424.20 g/mol.
Where can I buy N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
You can request a quote for N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide 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-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3-[5-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.