![4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid structure](/static/products/5301/530131-55-6.webp)
4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
TL;DR: 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid (CAS 530131-55-6) is a chemical compound with molecular formula C17H14BrClN2O4S and molecular weight 455.95462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid, 4-(3-(3-bromo-4-ethoxybenzoyl)thioureido)-2-chlorobenzoic acid, 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-2-chloro-benzoic Acid, 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Technical Specifications
| Molecular Formula | C17H14BrClN2O4S |
| Molecular Weight | 455.95462 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.95462 Da |
| Heavy Atoms | 26 |
| Complexity | 539.0 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl)Br |
| InChIKey | QTHNIAOQUBEWMK-UHFFFAOYSA-N |
Chemical Property Profile of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
Property Insights of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
The XLogP value of 4.7 indicates that 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic 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
What is the CAS number of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The CAS number of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is 530131-55-6.
What is the molecular formula of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The molecular formula of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is C17H14BrClN2O4S.
What is the molecular weight of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The molecular weight of 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is 455.95462 g/mol.
Where can I buy 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
You can request a quote for 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.