![3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid structure](/static/products/5339/533922-58-6.webp)
3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
TL;DR: 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid (CAS 533922-58-6) is a chemical compound with molecular formula C15H10BrClN2O3S and molecular weight 411.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-(3-(4-bromobenzoyl)thioureido)-4-chlorobenzoic acid, 3-[(4-bromobenzoyl)carbamothioylamino]-4-chlorobenzoic acid, 3-[3-(4-bromo-benzoyl)-thioureido]-4-chloro-benzoic acid, 3-({[(4-bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid, 3-[(4-bromobenzoyl)thiocarbamoylamino]-4-chloro-benzoic Acid
| Molecular Formula | C15H10BrClN2O3S |
|---|---|
| Molecular Weight | 411.93 g/mol |
| LogP | 3.9275 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.9284 |
| Heavy Atoms | 23 |
| Complexity | 780.7915 |
Chemical Identifiers
| CAS Number | 533922-58-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br |
Product Overview
3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid (CAS 533922-58-6), with molecular formula C15H10BrClN2O3S and molecular weight 411.93 g/mol. IUPAC: 3-[(4-bromobenzoyl)carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
Property Insights of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
The XLogP value of 3.9275 indicates that 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-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 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-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 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The CAS number of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is 533922-58-6.
What is the molecular formula of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The molecular formula of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is C15H10BrClN2O3S.
What is the molecular weight of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The molecular weight of 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is 411.93 g/mol.
Where can I buy 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
You can request a quote for 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Bromophenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.