3-(4-tert-Butylbenzoyl)acrylic acid
TL;DR: 3-(4-tert-Butylbenzoyl)acrylic acid (CAS 29685-73-2) 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.
(E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(4-tert-Butylbenzoyl)acrylic acid, 3-4-tert-butylbenzoylacrylic acid, (2E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid, (E)-4-(4-(tert-Butyl)phenyl)-4-oxobut-2-enoic acid, (E)-3-(4-tert-Butylbenzoyl)acrylic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 29685-73-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C(=O)O |
| InChIKey | APBQKTQKFFYBES-CMDGGOBGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-tert-Butylbenzoyl)acrylic acid (CAS 29685-73-2), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: (E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-(4-tert-Butylbenzoyl)acrylic acid
Property Insights of 3-(4-tert-Butylbenzoyl)acrylic acid
The XLogP value of 3.2 indicates that 3-(4-tert-Butylbenzoyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-tert-Butylbenzoyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-Butylbenzoyl)acrylic acid has 1 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 3-(4-tert-Butylbenzoyl)acrylic acid?
The CAS number of 3-(4-tert-Butylbenzoyl)acrylic acid is 29685-73-2.
What is the molecular formula of 3-(4-tert-Butylbenzoyl)acrylic acid?
The molecular formula of 3-(4-tert-Butylbenzoyl)acrylic acid is C14H16O3.
What is the molecular weight of 3-(4-tert-Butylbenzoyl)acrylic acid?
The molecular weight of 3-(4-tert-Butylbenzoyl)acrylic acid is 232.11 g/mol.
Where can I buy 3-(4-tert-Butylbenzoyl)acrylic acid?
You can request a quote for 3-(4-tert-Butylbenzoyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-Butylbenzoyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-Butylbenzoyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.