![3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid structure](/static/products/5301/530147-59-2.webp)
3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
TL;DR: 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid (CAS 530147-59-2) 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-methoxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-[[[ AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOICACID, 3-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID, 3-[3-(5-bromo-2-methoxy-benzoyl)-thioureido]-4-chloro-benzoic acid, 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-4-chloro-benzoic Acid, 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-chlorobenzoic 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 | 530147-59-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid (CAS 530147-59-2), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
Property Insights of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid
The XLogP value of 3.9361 indicates that 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic 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-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic 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-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The CAS number of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is 530147-59-2.
What is the molecular formula of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The molecular formula of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is C16H12BrClN2O4S.
What is the molecular weight of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
The molecular weight of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid is 441.94 g/mol.
Where can I buy 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
You can request a quote for 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-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-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.