4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid
TL;DR: 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid (CAS 29587-82-4) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid
Also Known As: 3-(4-Isopropylbenzoyl)acrylic acid, 3-(4-iso-Propylbenzoyl)acrylic acid, 4-oxo-4-(4-propan-2-ylphenyl)but-2-enoic Acid, 4-(4-Isopropyl-phenyl)-4-oxo-but-2-enoic acid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.6335 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 413.30878 |
Chemical Identifiers
| CAS Number | 29587-82-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)C=CC(=O)O |
Product Overview
4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid (CAS 29587-82-4), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid
Property Insights of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid
The XLogP value of 2.6335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-4-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)but-2-enoic acid?
The CAS number of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid is 29587-82-4.
What is the molecular formula of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid is C13H14O3.
What is the molecular weight of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid is 218.09 g/mol.
Where can I buy 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(4-propan-2-ylphenyl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.