trans-3-(4-Methylbenzoyl)acrylic acid
TL;DR: trans-3-(4-Methylbenzoyl)acrylic acid (CAS 24849-45-4) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(4-methylbenzoyl)acrylic acid, 3-(4-toluoyl)acrylic acid, trans-3-(4-Methylbenzoyl)acrylic acid, (E)-4-Oxo-4-(p-tolyl)but-2-enoic acid, 4-Oxo-4-p-tolyl-but-2-enoic acid
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 24849-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=CC(=O)O |
| InChIKey | VNJMEFZKYZHWEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-3-(4-Methylbenzoyl)acrylic acid (CAS 24849-45-4), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4-(4-methylphenyl)-4-oxobut-2-enoic acid.
Chemical Property Profile of trans-3-(4-Methylbenzoyl)acrylic acid
Property Insights of trans-3-(4-Methylbenzoyl)acrylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-3-(4-Methylbenzoyl)acrylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, trans-3-(4-Methylbenzoyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3-(4-Methylbenzoyl)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 trans-3-(4-Methylbenzoyl)acrylic acid?
The CAS number of trans-3-(4-Methylbenzoyl)acrylic acid is 24849-45-4.
What is the molecular formula of trans-3-(4-Methylbenzoyl)acrylic acid?
The molecular formula of trans-3-(4-Methylbenzoyl)acrylic acid is C11H10O3.
What is the molecular weight of trans-3-(4-Methylbenzoyl)acrylic acid?
The molecular weight of trans-3-(4-Methylbenzoyl)acrylic acid is 190.06 g/mol.
Where can I buy trans-3-(4-Methylbenzoyl)acrylic acid?
You can request a quote for trans-3-(4-Methylbenzoyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3-(4-Methylbenzoyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-3-(4-Methylbenzoyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.