4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid
TL;DR: 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid (CAS 189875-67-0) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid
Also Known As: 4-oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid, Fumaranilic acid,2',4',6'-trimethyl-(6CI), Fumaranilic acid,2',4',6'-trimethyl- (6CI), N-(2,4,6-TRIMETHYLPHENYL)MALEAMICACID, 2-Butenoic acid,4-oxo-4-[(2,4,6-trimethylphenyl)amino]-
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 189875-67-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C=CC(=O)O)C |
| InChIKey | LIBBIQNPOBBNDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid (CAS 189875-67-0), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 4-oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid
Property Insights of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(2,4,6-trimethylanilino)but-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-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid?
The CAS number of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid is 189875-67-0.
What is the molecular formula of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid is C13H15NO3.
What is the molecular weight of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid is 233.11 g/mol.
Where can I buy 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(2,4,6-trimethylanilino)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-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(2,4,6-trimethylanilino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.