![3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/4336/433693-29-9.webp)
3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433693-29-9) is a chemical compound with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[3-(3-Bromo-4-methoxy-benzoyl)-thioureido]-benzoic acid, 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic Acid, 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoic acid, 3-({[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
| Molecular Formula | C16H13BrN2O4S |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 3.2827 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.97794 |
| Heavy Atoms | 24 |
| Complexity | 810.4145 |
Chemical Identifiers
| CAS Number | 433693-29-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Br |
Product Overview
3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 433693-29-9), with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol. IUPAC: 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.2827 indicates that 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic 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-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic 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-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 433693-29-9.
What is the molecular formula of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is C16H13BrN2O4S.
What is the molecular weight of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid is 407.98 g/mol.
Where can I buy 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(3-Bromo-4-methoxyphenyl)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 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3-Bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.