4-(4-Acetylanilino)-4-oxo-2-butenoic acid
TL;DR: 4-(4-Acetylanilino)-4-oxo-2-butenoic acid (CAS 25017-51-0) 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.
(E)-4-(4-acetylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-acetylanilino)-4-oxo-2-butenoic acid, acetylanilinooxobutenoicacid, 3-(Chlorodifluoromethoxy)aniline, 3-(N- PROP-2-ENOICACID, 8346AD
| 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 | 25017-51-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O |
| InChIKey | CWSPWHGWDJSNIB-VOTSOKGWSA-N |
Product Overview
4-(4-Acetylanilino)-4-oxo-2-butenoic acid (CAS 25017-51-0), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (E)-4-(4-acetylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid
Property Insights of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetylanilino)-4-oxo-2-butenoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetylanilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-(4-Acetylanilino)-4-oxo-2-butenoic 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-2-butenoic acid?
The CAS number of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid is 25017-51-0.
What is the molecular formula of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid?
The molecular formula of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid is C12H11NO4.
What is the molecular weight of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid?
The molecular weight of 4-(4-Acetylanilino)-4-oxo-2-butenoic acid is 233.07 g/mol.
Where can I buy 4-(4-Acetylanilino)-4-oxo-2-butenoic acid?
You can request a quote for 4-(4-Acetylanilino)-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-Acetylanilino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetylanilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.