4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid
TL;DR: 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid (CAS 22659-83-2) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic acid
Also Known As: 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid, 3-(2,3,5,6-TETRAMETHYLBENZOYL)ACRYLIC ACID, 4-Oxo-4-(2,3,5,6-tetramethylphenyl)-2-butenoic Acid, 2-Butenoic acid,4-oxo-4-(2,3,5,6-tetramethylphenyl)-, 4-Oxo-4-(2,3,5,6-tetramethyl-phenyl)-trans-crotonsaeure
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.74378 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 484.43887 |
Chemical Identifiers
| CAS Number | 22659-83-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C(=O)C=CC(=O)O)C)C |
Product Overview
4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid (CAS 22659-83-2), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic acid.
Chemical Property Profile of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid
Property Insights of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid
The XLogP value of 2.74378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid has 1 hydrogen bond donor(s) and 2 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-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid?
The CAS number of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid is 22659-83-2.
What is the molecular formula of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid?
The molecular formula of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid is C14H16O3.
What is the molecular weight of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid?
The molecular weight of 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid is 232.11 g/mol.
Where can I buy 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid?
You can request a quote for 4-oxo-4-(2,3,5,6-tetramethylphenyl)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-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4-(2,3,5,6-tetramethylphenyl)but-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.