![5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid structure](/static/products/4342/434286-82-5.webp)
5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
TL;DR: 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 434286-82-5) 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.
5-[(4-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[(4-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid, 5-(3-(4-bromobenzoyl)thioureido)-2-chlorobenzoic acid, 5-[3-(4-bromo-benzoyl)-thioureido]-2-chloro-benzoic acid, 5-({[(4-bromophenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid, 5-[(4-bromobenzoyl)thiocarbamoylamino]-2-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 | 434286-82-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Br |
Product Overview
5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 434286-82-5), with molecular formula C15H10BrClN2O3S and molecular weight 411.93 g/mol. IUPAC: 5-[(4-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Property Insights of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
The XLogP value of 3.9275 indicates that 5-[(4-Bromobenzoyl)carbamothioylamino]-2-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 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[(4-Bromobenzoyl)carbamothioylamino]-2-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 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The CAS number of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 434286-82-5.
What is the molecular formula of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular formula of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is C15H10BrClN2O3S.
What is the molecular weight of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular weight of 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 411.93 g/mol.
Where can I buy 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
You can request a quote for 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.