![4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid structure](/static/products/330/330828-00-7.png)
4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid
TL;DR: 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid (CAS 330828-00-7) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid, 4-({[(3-ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid, AP-970/41019097, 4-[(3-ethoxybenzoyl)thiocarbamoylamino]benzoic Acid, 4-({[(3-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.9103 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 759.4408 |
Chemical Identifiers
| CAS Number | 330828-00-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid (CAS 330828-00-7), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 4-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid
Property Insights of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid
The XLogP value of 2.9103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}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 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid?
The CAS number of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid is 330828-00-7.
What is the molecular formula of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid?
The molecular formula of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid is C17H16N2O4S.
What is the molecular weight of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid?
The molecular weight of 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid is 344.08 g/mol.
Where can I buy 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid?
You can request a quote for 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}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 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(3-Ethoxybenzoyl)amino]carbothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.