![N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide structure](/static/products/1355/135546-76-8.webp)
N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide
TL;DR: N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide (CAS 135546-76-8) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylbenzoyl)carbamothioylamino]benzamide
Also Known As: 2-[(3-methylbenzoyl)carbamothioylamino]benzamide, N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide, N-[[[2-(Aminocarbonyl)phenyl]amino]thioxomethyl]-3-methylbenzamide
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 135546-76-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N |
| InChIKey | ONMHPFFUMJRWAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide (CAS 135546-76-8), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 2-[(3-methylbenzoyl)carbamothioylamino]benzamide.
Chemical Property Profile of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide
Property Insights of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide has 3 hydrogen bond donor(s) and 3 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-methylbenzamide?
The CAS number of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide is 135546-76-8.
What is the molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide?
The molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide is C16H15N3O2S.
What is the molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide?
The molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide is 313.09 g/mol.
Where can I buy N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide?
You can request a quote for N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide 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-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-carbamoylphenyl)carbamothioyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.