![3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide structure](/static/products/1132/1132639-45-2.webp)
3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide
TL;DR: 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide (CAS 1132639-45-2) is a chemical compound with molecular formula C21H30N4O2S2 and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
Also Known As: 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide, 3-[4-(1-Bicyclo[2.2.1]hept-2-yl-ethyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-N,N-diethyl-benzenesulfonamide, 3-[4-[1-(2-Bicyclo[2.2.1]heptanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide, 3-[4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
| Molecular Formula | C21H30N4O2S2 |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 4.63539 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.18103 |
| Heavy Atoms | 29 |
| Complexity | 1038.9457 |
Chemical Identifiers
| CAS Number | 1132639-45-2 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C(C)C3CC4CCC3C4 |
Product Overview
3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide (CAS 1132639-45-2), with molecular formula C21H30N4O2S2 and molecular weight 434.18 g/mol. IUPAC: 3-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide.
Chemical Property Profile of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide
Property Insights of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide
The XLogP value of 4.63539 indicates that 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-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-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-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-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide?
The CAS number of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide is 1132639-45-2.
What is the molecular formula of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide?
The molecular formula of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide is C21H30N4O2S2.
What is the molecular weight of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide?
The molecular weight of 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide is 434.18 g/mol.
Where can I buy 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide?
You can request a quote for 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-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-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-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.