![N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide structure](/static/products/6978/6978-14-9.webp)
N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide
TL;DR: N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide (CAS 6978-14-9) is a chemical compound with molecular formula C17H15ClN4O4S and molecular weight 406.05 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]-4-chloro-3-nitrobenzamide
Also Known As: N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide, 4-Chloro-N-{[4-(N-methylacetamido)phenyl]carbamothioyl}-3-nitrobenzamide, N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide, N-[[4-(acetyl-methyl-amino)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide
| Molecular Formula | C17H15ClN4O4S |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 3.3577 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.05026 |
| Heavy Atoms | 27 |
| Complexity | 917.6495 |
Chemical Identifiers
| CAS Number | 6978-14-9 |
|---|---|
| SMILES | CC(=O)N(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide (CAS 6978-14-9), with molecular formula C17H15ClN4O4S and molecular weight 406.05 g/mol. IUPAC: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide
Property Insights of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide
The XLogP value of 3.3577 indicates that N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-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)-4-chloro-3-nitrobenzamide?
The CAS number of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide is 6978-14-9.
What is the molecular formula of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide?
The molecular formula of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide is C17H15ClN4O4S.
What is the molecular weight of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide?
The molecular weight of N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide is 406.05 g/mol.
Where can I buy N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide?
You can request a quote for N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-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)-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({4-[Acetyl(methyl)amino]phenyl}carbamothioyl)-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.