3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide
TL;DR: 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide (CAS 522624-30-2) is a chemical compound with molecular formula C19H28N4O2S2 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
Also Known As: 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide, 3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide, 3-(4-Cycloheptyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N,N-diethyl-benzenesulfonamide
| Molecular Formula | C19H28N4O2S2 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 4.53349 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.16537 |
| Heavy Atoms | 27 |
| Complexity | 921.18146 |
Chemical Identifiers
| CAS Number | 522624-30-2 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3CCCCCC3 |
Product Overview
3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide (CAS 522624-30-2), with molecular formula C19H28N4O2S2 and molecular weight 408.17 g/mol. IUPAC: 3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide.
Chemical Property Profile of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide
Property Insights of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide
The XLogP value of 4.53349 indicates that 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-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 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-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 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide?
The CAS number of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide is 522624-30-2.
What is the molecular formula of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide?
The molecular formula of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide is C19H28N4O2S2.
What is the molecular weight of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide?
The molecular weight of 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide is 408.17 g/mol.
Where can I buy 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide?
You can request a quote for 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-cycloheptyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N,N-diethylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.