![5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid structure](/static/products/824/824973-54-8.png)
5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid
TL;DR: 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid (CAS 824973-54-8) is a chemical compound with molecular formula C18H16BrNO6 and molecular weight 421.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
Also Known As: 5-bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid, 5-bromo-2-[(4-ethoxycarbonylphenyl)carbamoylmethoxy]benzoic Acid, 5-bromo-2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid, 5-bromo-2-(2-((4-(ethoxycarbonyl)phenyl)amino)-2-oxoethoxy)benzoic acid
| Molecular Formula | C18H16BrNO6 |
|---|---|
| Molecular Weight | 421.02 g/mol |
| LogP | 3.3415 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.0161 |
| Heavy Atoms | 26 |
| Complexity | 818.9311 |
Chemical Identifiers
| CAS Number | 824973-54-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C(=O)O |
Product Overview
5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid (CAS 824973-54-8), with molecular formula C18H16BrNO6 and molecular weight 421.02 g/mol. IUPAC: 5-bromo-2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid.
Chemical Property Profile of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid
Property Insights of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid
The XLogP value of 3.3415 indicates that 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid has 2 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 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid?
The CAS number of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid is 824973-54-8.
What is the molecular formula of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid?
The molecular formula of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid is C18H16BrNO6.
What is the molecular weight of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid?
The molecular weight of 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid is 421.02 g/mol.
Where can I buy 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid?
You can request a quote for 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.