4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid
TL;DR: 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid (CAS 367908-48-3) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-ethoxyanilino)-3-methyl-4-oxobut-2-enoic acid
Also Known As: 4-(4-ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid, AS-871/40850877, (E)-4-(4-ethoxyanilino)-3-methyl-4-oxobut-2-enoic acid, (2Z)-4-((4-ethoxyphenyl)amino)-3-methyl-4-oxobut-2-enoic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.0547 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 462.38452 |
Chemical Identifiers
| CAS Number | 367908-48-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)/C(=C/C(=O)O)/C |
Product Overview
4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid (CAS 367908-48-3), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: (E)-4-(4-ethoxyanilino)-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid
Property Insights of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid
The XLogP value of 2.0547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic 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-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid?
The CAS number of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid is 367908-48-3.
What is the molecular formula of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid?
The molecular formula of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid is C13H15NO4.
What is the molecular weight of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid?
The molecular weight of 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid is 249.10 g/mol.
Where can I buy 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid?
You can request a quote for 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethoxyanilino)-3-methyl-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.