Ethyl 3-benzyloxy-alpha-cyanocinnamate
TL;DR: Ethyl 3-benzyloxy-alpha-cyanocinnamate (CAS 116592-70-2) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
Also Known As: ETHYL 3-BENZYLOXY-ALPHA-CYANOCINNAMATE, ethyl 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate, 654-224-4
Technical Specifications
| Molecular Formula | C19H17NO3 |
| Molecular Weight | 307.12085 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.12085 Da |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)OCC2=CC=CC=C2)C#N |
| InChIKey | KWSZCNMJXKZKTG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-benzyloxy-alpha-cyanocinnamate
Property Insights of Ethyl 3-benzyloxy-alpha-cyanocinnamate
The XLogP value of 3.9 indicates that Ethyl 3-benzyloxy-alpha-cyanocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl 3-benzyloxy-alpha-cyanocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-benzyloxy-alpha-cyanocinnamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-benzyloxy-alpha-cyanocinnamate?
The CAS number of Ethyl 3-benzyloxy-alpha-cyanocinnamate is 116592-70-2.
What is the molecular formula of Ethyl 3-benzyloxy-alpha-cyanocinnamate?
The molecular formula of Ethyl 3-benzyloxy-alpha-cyanocinnamate is C19H17NO3.
What is the molecular weight of Ethyl 3-benzyloxy-alpha-cyanocinnamate?
The molecular weight of Ethyl 3-benzyloxy-alpha-cyanocinnamate is 307.12085 g/mol.
Where can I buy Ethyl 3-benzyloxy-alpha-cyanocinnamate?
You can request a quote for Ethyl 3-benzyloxy-alpha-cyanocinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-benzyloxy-alpha-cyanocinnamate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-benzyloxy-alpha-cyanocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.