![N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide structure](/static/products/111/111752-83-1.png)
N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide
TL;DR: N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide (CAS 111752-83-1) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: N'-{4-nitrobenzoyl}-N-methyl-N-phenylthiourea, N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide, AB-601/30968036
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.7459 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 701.7324 |
Chemical Identifiers
| CAS Number | 111752-83-1 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide (CAS 111752-83-1), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide
Property Insights of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide
The XLogP value of 2.7459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide has 1 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-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide is 111752-83-1.
What is the molecular formula of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide is C15H13N3O3S.
What is the molecular weight of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide is 315.07 g/mol.
Where can I buy N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[methyl(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-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[methyl(phenyl)carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.