Methyl 3-benzoylacrylate
TL;DR: Methyl 3-benzoylacrylate (CAS 19522-28-2) 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.
methyl 4-oxo-4-phenylbut-2-enoate
Also Known As: methyl 4-oxo-4-phenylbut-2-enoate, methyl 3-benzoylacrylate, methyl 4-oxo-4-phenyl-2-butenoate, Methyl-4-oxo-4-phenyl-2-butenoate, methyl (E)-4-oxo-4-phenyl-2-butenoate
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 19522-28-2 |
|---|---|
| SMILES | COC(=O)C=CC(=O)C1=CC=CC=C1 |
| InChIKey | ZNEGOHIZLROWAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-benzoylacrylate (CAS 19522-28-2), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: methyl 4-oxo-4-phenylbut-2-enoate.
Chemical Property Profile of Methyl 3-benzoylacrylate
Property Insights of Methyl 3-benzoylacrylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-benzoylacrylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-benzoylacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-benzoylacrylate has 0 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 Methyl 3-benzoylacrylate?
The CAS number of Methyl 3-benzoylacrylate is 19522-28-2.
What is the molecular formula of Methyl 3-benzoylacrylate?
The molecular formula of Methyl 3-benzoylacrylate is C11H10O3.
What is the molecular weight of Methyl 3-benzoylacrylate?
The molecular weight of Methyl 3-benzoylacrylate is 190.06 g/mol.
Where can I buy Methyl 3-benzoylacrylate?
You can request a quote for Methyl 3-benzoylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-benzoylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-benzoylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.