![2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4336/433694-82-7.webp)
2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433694-82-7) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid, 2-[(3-methoxybenzoyl)thiocarbamoylamino]benzoic Acid, 2-[[[(3-methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid, 2-({[(3-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.5202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 761.25037 |
Chemical Identifiers
| CAS Number | 433694-82-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O |
Product Overview
2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433694-82-7), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.5202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid has 3 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 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433694-82-7.
What is the molecular formula of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C16H14N2O4S.
What is the molecular weight of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 330.07 g/mol.
Where can I buy 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(3-Methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.