(E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid
TL;DR: (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid (CAS 101506-83-6) is a chemical compound with molecular formula C17H18O2S and molecular weight 286.10275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(5-propan-2-ylthiophen-2-yl)prop-1-enyl]benzoic acid
Also Known As: Namirotene, (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid, 4-[2-(5-propan-2-ylthiophen-2-yl)prop-1-enyl]benzoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H18O2S |
| Molecular Weight | 286.10275 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10275 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | CC(C)C1=CC=C(S1)C(=CC2=CC=C(C=C2)C(=O)O)C |
| InChIKey | GDDUESKGWJTHLR-UHFFFAOYSA-N |
Chemical Property Profile of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid
Property Insights of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid
The XLogP value of 5.2 indicates that (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic 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 (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid?
The CAS number of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid is 101506-83-6.
What is the molecular formula of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid?
The molecular formula of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid is C17H18O2S.
What is the molecular weight of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid?
The molecular weight of (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid is 286.10275 g/mol.
Where can I buy (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid?
You can request a quote for (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-4-(2-(5-isopropylthiophen-2-yl)prop-1-enyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.