![N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide structure](/static/products/6429/642948-84-3.webp)
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide
TL;DR: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide (CAS 642948-84-3) is a chemical compound with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide, N-({[4-(1-azepanylsulfonyl)phenyl]amino}carbonothioyl)-4-nitrobenzamide, N-{[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl}-4-nitrobenzamide, benzamide, N-[[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]thioxomethyl]-4-nitro-
| Molecular Formula | C20H22N4O5S2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 3.2863 |
| Topological Polar Surface Area | 121.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.10315 |
| Heavy Atoms | 31 |
| Complexity | 1061.754 |
Chemical Identifiers
| CAS Number | 642948-84-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide (CAS 642948-84-3), with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol. IUPAC: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide
Property Insights of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide
The XLogP value of 3.2863 indicates that N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide is 642948-84-3.
What is the molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide is C20H22N4O5S2.
What is the molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide is 462.10 g/mol.
Where can I buy N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.