4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid
TL;DR: 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid (CAS 36847-95-7) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
Also Known As: 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid, (2Z)-4-[(2-ethoxyphenyl)amino]-4-oxobut-2-enoic acid, 3-(2-Ethoxy-phenylcarbamoyl)-acrylic acid, Acrylic acid, 3-(2-ethoxyphenylcarbamoyl)-, (2E)-4-(2-ethoxyanilino)-4-oxo-2-butenoic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.6646 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 439.8867 |
Chemical Identifiers
| CAS Number | 36847-95-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)/C=C/C(=O)O |
Product Overview
4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid (CAS 36847-95-7), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (E)-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid
Property Insights of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid
The XLogP value of 1.6646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 3 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 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid?
The CAS number of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid is 36847-95-7.
What is the molecular formula of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid is C12H13NO4.
What is the molecular weight of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid is 235.08 g/mol.
Where can I buy 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Ethoxyphenyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.