Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate
TL;DR: Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate (CAS 98258-72-1) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-oxo-3-phenylprop-1-enyl)benzoate
Also Known As: methyl 4-(3-oxo-3-phenylprop-1-enyl)benzoate, Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate, Methyl 4-[(1E)-3-oxo-3-phenyl-1-propenyl]benzoate, METHYL 4-[(E)-3-OXO-3-PHENYL-PROP-1-ENYL]BENZOATE
| Molecular Formula | C17H14O3 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0943 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 98258-72-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 |
| InChIKey | CADDVOXTZYEXKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate (CAS 98258-72-1), with molecular formula C17H14O3 and molecular weight 266.09 g/mol. IUPAC: methyl 4-(3-oxo-3-phenylprop-1-enyl)benzoate.
Chemical Property Profile of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate
Property Insights of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate 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-4-(3-oxo-3-phenylpropenyl)-benzoate?
The CAS number of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate is 98258-72-1.
What is the molecular formula of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate?
The molecular formula of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate is C17H14O3.
What is the molecular weight of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate?
The molecular weight of Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate is 266.09 g/mol.
Where can I buy Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate?
You can request a quote for Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-(3-oxo-3-phenylpropenyl)-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.