![5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid structure](/static/products/5863/586392-51-0.webp)
5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
TL;DR: 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 586392-51-0) 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.
5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid, 5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenz, 5-[[[ AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOICACID, 5-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-2-chloro-benzoic Acid, 5-{[(5-Bromo-2-chlorobenzoyl)carbamothioyl]amino}-2-chlorobenzoic 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 | 586392-51-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)O)Cl |
Product Overview
5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 586392-51-0), with molecular formula C15H9BrCl2N2O3S and molecular weight 445.89 g/mol. IUPAC: 5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Property Insights of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
The XLogP value of 4.5809 indicates that 5-[(5-Bromo-2-chlorobenzoyl)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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[(5-Bromo-2-chlorobenzoyl)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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The CAS number of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 586392-51-0.
What is the molecular formula of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular formula of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is C15H9BrCl2N2O3S.
What is the molecular weight of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular weight of 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 445.89 g/mol.
Where can I buy 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
You can request a quote for 5-[(5-Bromo-2-chlorobenzoyl)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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.