![N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide structure](/static/products/5016/501652-69-3.webp)
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide
TL;DR: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide (CAS 501652-69-3) is a chemical compound with molecular formula C17H16N4O4S and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide, N-[({4-[acetyl(methyl)amino]phenyl}amino)carbonothioyl]-3-nitrobenzamide, N-({4-[acetyl(methyl)amino]phenyl}carbamothioyl)-3-nitrobenzamide
| Molecular Formula | C17H16N4O4S |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.08923 |
| Heavy Atoms | 26 |
| Complexity | 867.32153 |
Chemical Identifiers
| CAS Number | 501652-69-3 |
|---|---|
| SMILES | CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide (CAS 501652-69-3), with molecular formula C17H16N4O4S and molecular weight 372.09 g/mol. IUPAC: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide
Property Insights of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide has 2 hydrogen bond donor(s) and 5 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-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide is 501652-69-3.
What is the molecular formula of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide is C17H16N4O4S.
What is the molecular weight of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide is 372.09 g/mol.
Where can I buy N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-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-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.