![2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4339/433971-97-2.webp)
2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433971-97-2) is a chemical compound with molecular formula C17H15N3O6S and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-(3-(4-ethoxy-3-nitrobenzoyl)thioureido)benzoic acid, 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid, 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid, 2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C17H15N3O6S |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 2.8185 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06815 |
| Heavy Atoms | 27 |
| Complexity | 915.2918 |
Chemical Identifiers
| CAS Number | 433971-97-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-] |
Product Overview
2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433971-97-2), with molecular formula C17H15N3O6S and molecular weight 389.07 g/mol. IUPAC: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.8185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 6 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-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433971-97-2.
What is the molecular formula of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C17H15N3O6S.
What is the molecular weight of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 389.07 g/mol.
Where can I buy 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-({[(4-Ethoxy-3-nitrophenyl)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-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.