![2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4336/433689-72-6.webp)
2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433689-72-6) is a chemical compound with molecular formula C15H11BrN2O3S and molecular weight 377.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-[(3-bromobenzoyl)carbamothioylamino]benzoic acid, 2-[(3-bromobenzoyl)thiocarbamoylamino]benzoic Acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-(([(3-bromobenzoyl)amino]carbonothioyl)amino)benzoic acid, 2-({[(3-bromobenzoyl)amino]carbonothioyl}amino)benzoic acid
| Molecular Formula | C15H11BrN2O3S |
|---|---|
| Molecular Weight | 377.97 g/mol |
| LogP | 3.2741 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.96738 |
| Heavy Atoms | 22 |
| Complexity | 749.0723 |
Chemical Identifiers
| CAS Number | 433689-72-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)Br |
Product Overview
2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433689-72-6), with molecular formula C15H11BrN2O3S and molecular weight 377.97 g/mol. IUPAC: 2-[(3-bromobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.2741 indicates that 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic 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 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic 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 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433689-72-6.
What is the molecular formula of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C15H11BrN2O3S.
What is the molecular weight of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 377.97 g/mol.
Where can I buy 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(3-Bromophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.