3-(2-Carboethoxyphenyl)-1-propene
TL;DR: 3-(2-Carboethoxyphenyl)-1-propene (CAS 372510-69-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-prop-2-enylbenzoate
Also Known As: 3-(2-Carboethoxyphenyl)-1-propene, Ethyl 2-allylbenzoate, Ethyl 2-prop-2-enylbenzoate, 2-ALLYL-BENZOIC ACID ETHYL ESTER, 2-Allylbenzoic acid ethyl ester
Technical Specifications
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1CC=C |
| InChIKey | NKZASWGDPLVFHA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Carboethoxyphenyl)-1-propene
Property Insights of 3-(2-Carboethoxyphenyl)-1-propene
The XLogP value of 3.2 indicates that 3-(2-Carboethoxyphenyl)-1-propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(2-Carboethoxyphenyl)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Carboethoxyphenyl)-1-propene 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-(2-Carboethoxyphenyl)-1-propene?
The CAS number of 3-(2-Carboethoxyphenyl)-1-propene is 372510-69-5.
What is the molecular formula of 3-(2-Carboethoxyphenyl)-1-propene?
The molecular formula of 3-(2-Carboethoxyphenyl)-1-propene is C12H14O2.
What is the molecular weight of 3-(2-Carboethoxyphenyl)-1-propene?
The molecular weight of 3-(2-Carboethoxyphenyl)-1-propene is 190.09938 g/mol.
Where can I buy 3-(2-Carboethoxyphenyl)-1-propene?
You can request a quote for 3-(2-Carboethoxyphenyl)-1-propene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Carboethoxyphenyl)-1-propene?
Yes, CoreyChem provides custom synthesis services for 3-(2-Carboethoxyphenyl)-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.