Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate
TL;DR: Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate (CAS 6240-59-1) is a chemical compound with molecular formula C15H12O3S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate
Also Known As: methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate, methyl 4-[(1E)-3-oxo-3-(thiophen-2-yl)prop-1-en-1-yl]benzoate
| Molecular Formula | C15H12O3S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 3.4308 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.05072 |
| Heavy Atoms | 19 |
| Complexity | 594.83075 |
Chemical Identifiers
| CAS Number | 6240-59-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2 |
Product Overview
Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate (CAS 6240-59-1), with molecular formula C15H12O3S and molecular weight 272.05 g/mol. IUPAC: methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate.
Chemical Property Profile of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate
Property Insights of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate
The XLogP value of 3.4308 indicates that Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate has 0 hydrogen bond donor(s) and 4 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-thiophen-2-ylprop-1-enyl)benzoate?
The CAS number of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate is 6240-59-1.
What is the molecular formula of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate?
The molecular formula of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate is C15H12O3S.
What is the molecular weight of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate?
The molecular weight of Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate is 272.05 g/mol.
Where can I buy Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate?
You can request a quote for Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)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-thiophen-2-ylprop-1-enyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-oxo-3-thiophen-2-ylprop-1-enyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.