![3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid structure](/static/products/5301/530148-22-2.webp)
3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
TL;DR: 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid (CAS 530148-22-2) 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.
3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-[[[ AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOICACID, 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-chloro-benzoic Acid, 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid, 3-[[[(5-Bromo-2-chlorobenzoyl)amino]thioxomethyl ]amino]-4-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 | 530148-22-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)Cl |
Product Overview
3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid (CAS 530148-22-2), with molecular formula C15H9BrCl2N2O3S and molecular weight 445.89 g/mol. IUPAC: 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Property Insights of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
The XLogP value of 4.5809 indicates that 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid?
The CAS number of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid is 530148-22-2.
What is the molecular formula of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid?
The molecular formula of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid is C15H9BrCl2N2O3S.
What is the molecular weight of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid?
The molecular weight of 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid is 445.89 g/mol.
Where can I buy 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid?
You can request a quote for 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-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-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.