Benzoylacrylic acid
TL;DR: Benzoylacrylic acid (CAS 60045-64-9) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-phenylbut-2-enoic acid
Also Known As: 3-Benzoylacrylic acid, Benzoylacrylic acid, (E)-4-oxo-4-phenylbut-2-enoic acid, 4-Oxo-4-phenyl-2-butenoic acid, 4-oxo-4-phenylbut-2-enoic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 60045-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C/C(=O)O |
| InChIKey | PLPDHGOODMBBGN-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylacrylic acid (CAS 60045-64-9), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: (E)-4-oxo-4-phenylbut-2-enoic acid.
Chemical Property Profile of Benzoylacrylic acid
Property Insights of Benzoylacrylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylacrylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoylacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylacrylic 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 Benzoylacrylic acid?
The CAS number of Benzoylacrylic acid is 60045-64-9.
What is the molecular formula of Benzoylacrylic acid?
The molecular formula of Benzoylacrylic acid is C10H8O3.
What is the molecular weight of Benzoylacrylic acid?
The molecular weight of Benzoylacrylic acid is 176.05 g/mol.
Where can I buy Benzoylacrylic acid?
You can request a quote for Benzoylacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzoylacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.