![N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide structure](/static/products/5359/535957-23-4.webp)
N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide
TL;DR: N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide (CAS 535957-23-4) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide
Also Known As: N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.12892 |
| Topological Polar Surface Area | 127.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 882.1885 |
Chemical Identifiers
| CAS Number | 535957-23-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N)[N+](=O)[O-] |
Product Overview
N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide (CAS 535957-23-4), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide
Property Insights of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide
The XLogP value of 2.12892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide. The TPSA of 127.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide has 3 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-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide?
The CAS number of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide is 535957-23-4.
What is the molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide?
The molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide is C16H14N4O4S.
What is the molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide?
The molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide is 358.07 g/mol.
Where can I buy N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide?
You can request a quote for N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-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-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-carbamoylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.