Methyl 2-oxo-4-phenylbut-3-enoate
TL;DR: Methyl 2-oxo-4-phenylbut-3-enoate (CAS 107969-78-8) 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 2-oxo-4-phenylbut-3-enoate
Also Known As: methyl 2-oxo-4-phenylbut-3-enoate, methyl 2-oxo-4-phenyl-3-butenoate, methyl (E)-2-oxo-4-phenylbut-3-enoate, methyl 2-oxo-4-phenyl-but-3-enoate, 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.1 |
| 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 | 107969-78-8 |
|---|---|
| SMILES | COC(=O)C(=O)C=CC1=CC=CC=C1 |
| InChIKey | ZWDYRZGSCHGREX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-oxo-4-phenylbut-3-enoate (CAS 107969-78-8), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: methyl 2-oxo-4-phenylbut-3-enoate.
Chemical Property Profile of Methyl 2-oxo-4-phenylbut-3-enoate
Property Insights of Methyl 2-oxo-4-phenylbut-3-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-oxo-4-phenylbut-3-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-oxo-4-phenylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-oxo-4-phenylbut-3-enoate 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 2-oxo-4-phenylbut-3-enoate?
The CAS number of Methyl 2-oxo-4-phenylbut-3-enoate is 107969-78-8.
What is the molecular formula of Methyl 2-oxo-4-phenylbut-3-enoate?
The molecular formula of Methyl 2-oxo-4-phenylbut-3-enoate is C11H10O3.
What is the molecular weight of Methyl 2-oxo-4-phenylbut-3-enoate?
The molecular weight of Methyl 2-oxo-4-phenylbut-3-enoate is 190.06 g/mol.
Where can I buy Methyl 2-oxo-4-phenylbut-3-enoate?
You can request a quote for Methyl 2-oxo-4-phenylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-oxo-4-phenylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-oxo-4-phenylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.