3-Phenyl-1-thiophen-3-ylprop-2-en-1-one
TL;DR: 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one (CAS 114361-73-8) is a chemical compound with molecular formula C13H10OS and molecular weight 214.04524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-1-thiophen-3-ylprop-2-en-1-one
Also Known As: 3-phenyl-1-(3-thienyl)prop-2-en-1-one, 3-phenyl-1-thiophen-3-ylprop-2-en-1-one, 3-phenyl-1-thiophen-3-yl-prop-2-en-1-one
Technical Specifications
| Molecular Formula | C13H10OS |
| Molecular Weight | 214.04524 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04524 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CSC=C2 |
| InChIKey | ZYHMZJWJKIZTKS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one
Property Insights of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one
The XLogP value of 3.4 indicates that 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one?
The CAS number of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one is 114361-73-8.
What is the molecular formula of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one?
The molecular formula of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one is C13H10OS.
What is the molecular weight of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one?
The molecular weight of 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one is 214.04524 g/mol.
Where can I buy 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one?
You can request a quote for 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-1-thiophen-3-ylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.