![5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid structure](/static/products/5359/535957-63-2.webp)
5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
TL;DR: 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 535957-63-2) 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-[(3-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[(3-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid, 5-[3-(3-bromo-benzoyl)-thioureido]-2-chloro-benzoic acid, 5-[(3-bromobenzoyl)thiocarbamoylamino]-2-chloro-benzoic Acid, 5-[[[ AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOICACID, 5-[[[(3-Bromobenzoyl)amino]thioxomethyl ]amino]-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 | 798.0415 |
Chemical Identifiers
| CAS Number | 535957-63-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid (CAS 535957-63-2), with molecular formula C15H10BrClN2O3S and molecular weight 411.93 g/mol. IUPAC: 5-[(3-bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
Property Insights of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid
The XLogP value of 3.9275 indicates that 5-[(3-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-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[(3-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-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The CAS number of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 535957-63-2.
What is the molecular formula of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular formula of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is C15H10BrClN2O3S.
What is the molecular weight of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
The molecular weight of 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid is 411.93 g/mol.
Where can I buy 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
You can request a quote for 5-[(3-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-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Bromobenzoyl)carbamothioylamino]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.