4-(4-Acetylanilino)-4-oxo-but-2-enoic acid
TL;DR: 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid (CAS 79622-99-4) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-acetylanilino)-4-oxo-2-butenoic acid, 3-(3,4-Diethoxy-phenyl)-propionic acid, 4-(4-acetylanilino)-4-oxobut-2-enoic acid, 4-(4-acetylanilino)-4-oxo-but-2-enoic acid, 2-Butenoic acid, 4-[(4-acetylphenyl)amino]-4-oxo-
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 79622-99-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C=CC(=O)O |
| InChIKey | CWSPWHGWDJSNIB-UHFFFAOYSA-N |
Product Overview
4-(4-Acetylanilino)-4-oxo-but-2-enoic acid (CAS 79622-99-4), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 4-(4-acetylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid
Property Insights of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid has 2 hydrogen bond donor(s) and 4 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-Acetylanilino)-4-oxo-but-2-enoic acid?
The CAS number of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid is 79622-99-4.
What is the molecular formula of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid?
The molecular formula of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid is C12H11NO4.
What is the molecular weight of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid?
The molecular weight of 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid is 233.07 g/mol.
Where can I buy 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid?
You can request a quote for 4-(4-Acetylanilino)-4-oxo-but-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-(4-Acetylanilino)-4-oxo-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetylanilino)-4-oxo-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.