![3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4336/433690-58-5.webp)
3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433690-58-5) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoic acid, 3-[(3,4-dimethoxybenzoyl)thiocarbamoylamino]benzoic Acid, 3-[3-(3,4-Dimethoxy-benzoyl)-thioureido]-benzoic acid, 3-({[(3,4-dimethoxybenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-({[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.5288 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 822.43555 |
Chemical Identifiers
| CAS Number | 433690-58-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)OC |
Product Overview
3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433690-58-5), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.5288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid 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 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433690-58-5.
What is the molecular formula of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C17H16N2O5S.
What is the molecular weight of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 360.08 g/mol.
Where can I buy 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(3,4-Dimethoxyphenyl)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 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3,4-Dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.