![2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid structure](/static/products/526/52693-18-2.png)
2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
TL;DR: 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 52693-18-2) is a chemical compound with molecular formula C15H17NO6 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]benzoic acid
Also Known As: BIM-0001706.P001, AE-641/14179117, 2-{[2,2-bis(ethoxycarbonyl)vinyl]amino}benzoic acid, 2-{[3-ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid, 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]benzoic acid
| Molecular Formula | C15H17NO6 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.8068 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1056 |
| Heavy Atoms | 22 |
| Complexity | 573.4504 |
Chemical Identifiers
| CAS Number | 52693-18-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1C(=O)O)C(=O)OCC |
Product Overview
2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 52693-18-2), with molecular formula C15H17NO6 and molecular weight 307.11 g/mol. IUPAC: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]benzoic acid.
Chemical Property Profile of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
Property Insights of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
The XLogP value of 1.8068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid has 2 hydrogen bond donor(s) and 6 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 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The CAS number of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is 52693-18-2.
What is the molecular formula of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular formula of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is C15H17NO6.
What is the molecular weight of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular weight of 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is 307.11 g/mol.
Where can I buy 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
You can request a quote for 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]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 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.