N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide
TL;DR: N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide (CAS 6978-18-3) is a chemical compound with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide
Also Known As: N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide, N-(benzylthiocarbamoyl)-4-chloro-3-nitro-benzamide
| Molecular Formula | C15H12ClN3O3S |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.0527 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.02878 |
| Heavy Atoms | 23 |
| Complexity | 752.88727 |
Chemical Identifiers
| CAS Number | 6978-18-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide (CAS 6978-18-3), with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol. IUPAC: N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide
Property Insights of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide
The XLogP value of 3.0527 indicates that N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide?
The CAS number of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide is 6978-18-3.
What is the molecular formula of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide?
The molecular formula of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide is C15H12ClN3O3S.
What is the molecular weight of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide?
The molecular weight of N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide is 349.03 g/mol.
Where can I buy N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide?
You can request a quote for N-(benzylcarbamothioyl)-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-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.