3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
TL;DR: 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid (CAS 1017114-62-3) is a chemical compound with molecular formula C13H9ClO2S and molecular weight 264.0012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
Also Known As: 3-(3-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid, (2E)-3-(3-chlorophenyl)-2-thien-2-ylacrylic acid, 3-(3-chlorophenyl)-2-(thiophen-2-yl)prop-2-enoic acid, 3-(3-chlorophenyl)-2-thiophen-2-yl-prop-2-enoic Acid
Technical Specifications
| Molecular Formula | C13H9ClO2S |
| Molecular Weight | 264.0012 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0012 Da |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C=C(C2=CC=CS2)C(=O)O |
| InChIKey | PZSZVSZONHQZQF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
Property Insights of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
The XLogP value of 3.9 indicates that 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The CAS number of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is 1017114-62-3.
What is the molecular formula of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The molecular formula of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is C13H9ClO2S.
What is the molecular weight of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
The molecular weight of 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid is 264.0012 g/mol.
Where can I buy 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
You can request a quote for 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.