![N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide structure](/static/products/7945/794557-89-4.webp)
N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide
TL;DR: N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide (CAS 794557-89-4) is a chemical compound with molecular formula C21H27N5O5S2 and molecular weight 493.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide
Also Known As: N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide, N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide, N,N-diethyl-4-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C21H27N5O5S2 |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 2.7046 |
| Topological Polar Surface Area | 116.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.14536 |
| Heavy Atoms | 33 |
| Complexity | 1129.6154 |
Chemical Identifiers
| CAS Number | 794557-89-4 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)[N+](=O)[O-] |
Product Overview
N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide (CAS 794557-89-4), with molecular formula C21H27N5O5S2 and molecular weight 493.15 g/mol. IUPAC: N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide.
Chemical Property Profile of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide
Property Insights of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide
The XLogP value of 2.7046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide. The TPSA of 116.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide has 0 hydrogen bond donor(s) and 8 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-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide?
The CAS number of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide is 794557-89-4.
What is the molecular formula of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide?
The molecular formula of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide is C21H27N5O5S2.
What is the molecular weight of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide?
The molecular weight of N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide is 493.15 g/mol.
Where can I buy N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide?
You can request a quote for N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-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-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.