![2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid structure](/static/products/5329/532947-69-6.webp)
2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid
TL;DR: 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid (CAS 532947-69-6) is a chemical compound with molecular formula C15H9BrCl2N2O3S and molecular weight 445.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-chlorobenzoic acid
Also Known As: 2-({[(5-bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid, 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-5-chloro-benzoic Acid, 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-chlorobenzoic acid, 2-[[[(5-Bromo-2-chlorobenzoyl)amino]thioxomethyl ]amino]-5-chloro-benzoic acid
| Molecular Formula | C15H9BrCl2N2O3S |
|---|---|
| Molecular Weight | 445.89 g/mol |
| LogP | 4.5809 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.88943 |
| Heavy Atoms | 24 |
| Complexity | 845.46405 |
Chemical Identifiers
| CAS Number | 532947-69-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl |
Product Overview
2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid (CAS 532947-69-6), with molecular formula C15H9BrCl2N2O3S and molecular weight 445.89 g/mol. IUPAC: 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-chlorobenzoic acid.
Chemical Property Profile of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid
Property Insights of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid
The XLogP value of 4.5809 indicates that 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid has 3 hydrogen bond donor(s) and 3 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-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid?
The CAS number of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid is 532947-69-6.
What is the molecular formula of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid?
The molecular formula of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid is C15H9BrCl2N2O3S.
What is the molecular weight of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid?
The molecular weight of 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid is 445.89 g/mol.
Where can I buy 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid?
You can request a quote for 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.