![3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide structure](/static/products/5191/519150-25-5.webp)
3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide
TL;DR: 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide (CAS 519150-25-5) is a chemical compound with molecular formula C24H32N4O2S2 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2,6-di(propan-2-yl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
Also Known As: 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide, 3-[4-(2,6-Diisopropyl-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-N,N-diethyl-benzenesulfonamide, 3-[4-[2,6-di(propan-2-yl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide, 3-(4-(2,6-Diisopropylphenyl)-5-mercapto-4h-1,2,4-triazol-3-yl)-n,n-diethylbenzenesulfonamide, 3-[4-(2,6-diisopropylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide
| Molecular Formula | C24H32N4O2S2 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 5.87419 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.19666 |
| Heavy Atoms | 32 |
| Complexity | 1226.7488 |
Chemical Identifiers
| CAS Number | 519150-25-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=C(C=CC=C3C(C)C)C(C)C |
Product Overview
3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide (CAS 519150-25-5), with molecular formula C24H32N4O2S2 and molecular weight 472.20 g/mol. IUPAC: 3-[4-[2,6-di(propan-2-yl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide.
Chemical Property Profile of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide
Property Insights of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide
The XLogP value of 5.87419 indicates that 3-{4-[2,6-bis(propan-2-yl)phenyl]-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-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, 3-{4-[2,6-bis(propan-2-yl)phenyl]-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide?
The CAS number of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide is 519150-25-5.
What is the molecular formula of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide?
The molecular formula of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide is C24H32N4O2S2.
What is the molecular weight of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide?
The molecular weight of 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide is 472.20 g/mol.
Where can I buy 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide?
You can request a quote for 3-{4-[2,6-bis(propan-2-yl)phenyl]-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-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[2,6-bis(propan-2-yl)phenyl]-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.