![3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid structure](/static/products/4339/433943-70-5.webp)
3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
TL;DR: 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 433943-70-5) is a chemical compound with molecular formula C16H12BrClN2O4S and molecular weight 441.94 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-methoxybenzoic acid
Also Known As: 3-(3-(5-bromo-2-chlorobenzoyl)thioureido)-4-methoxybenzoic acid, 3-({[(5-bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid, 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic Acid, 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
| Molecular Formula | C16H12BrClN2O4S |
|---|---|
| Molecular Weight | 441.94 g/mol |
| LogP | 3.9361 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.93896 |
| Heavy Atoms | 25 |
| Complexity | 860.0235 |
Chemical Identifiers
| CAS Number | 433943-70-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl |
Product Overview
3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 433943-70-5), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
Property Insights of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
The XLogP value of 3.9361 indicates that 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid has 3 hydrogen bond donor(s) and 4 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-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The CAS number of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 433943-70-5.
What is the molecular formula of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular formula of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is C16H12BrClN2O4S.
What is the molecular weight of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular weight of 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 441.94 g/mol.
Where can I buy 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
You can request a quote for 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic 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-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(5-Bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.