![3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid structure](/static/products/5315/531547-99-6.webp)
3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
TL;DR: 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 531547-99-6) is a chemical compound with molecular formula C18H17BrN2O5S and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
Also Known As: 3-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic Acid, 3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid, 3-[3-(3-Bromo-4-ethoxy-benzoyl)-thioureido]-4-methoxy-benzoic acid, 3-({[(3-bromo-4-ethoxybenzoyl)amino]carbonothioyl}amino)-4-methoxybenzoic acid, 3-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
| Molecular Formula | C18H17BrN2O5S |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 3.6814 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.00415 |
| Heavy Atoms | 27 |
| Complexity | 888.05084 |
Chemical Identifiers
| CAS Number | 531547-99-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)Br |
Product Overview
3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 531547-99-6), with molecular formula C18H17BrN2O5S and molecular weight 452.00 g/mol. IUPAC: 3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
Property Insights of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
The XLogP value of 3.6814 indicates that 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid has 3 hydrogen bond donor(s) and 5 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-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The CAS number of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 531547-99-6.
What is the molecular formula of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular formula of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is C18H17BrN2O5S.
What is the molecular weight of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular weight of 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 452.00 g/mol.
Where can I buy 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
You can request a quote for 3-({[(3-Bromo-4-ethoxyphenyl)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-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3-Bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.