1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one
TL;DR: 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one (CAS 1222540-09-1) is a chemical compound with molecular formula C13H9ClOS and molecular weight 248.00627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
Also Known As: 1-(3-chlorophenyl)-3-(2-thienyl)prop-2-en-1-one, (2E)-1-(3-Chlorophenyl)-3-(thiophen-2-yl)prop-2-en-1-one, 1-(3-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
Technical Specifications
| Molecular Formula | C13H9ClOS |
| Molecular Weight | 248.00627 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.00627 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)C=CC2=CC=CS2 |
| InChIKey | UFQNOVXSPXDMPW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one
Property Insights of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one
The XLogP value of 4.0 indicates that 1-(3-Chlorophenyl)-3-(2-thienyl)prop-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, 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(2-thienyl)prop-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 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one?
The CAS number of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one is 1222540-09-1.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one?
The molecular formula of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one is C13H9ClOS.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one?
The molecular weight of 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one is 248.00627 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one?
You can request a quote for 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.