Tert-butyl 2-cyano-3-phenylprop-2-enoate
TL;DR: Tert-butyl 2-cyano-3-phenylprop-2-enoate (CAS 1247933-22-7) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-cyano-3-phenylprop-2-enoate
Also Known As: tert-butyl 2-cyano-3-phenylprop-2-enoate, (E)-tert-butyl 2-cyano-3-phenylacrylate, Carbamic acid,ethyl(phenylmethyl)-,1,1-dimethylethyl ester, 2-Propenoic acid,2-cyano-3-phenyl-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.11028 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.11028 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | CC(C)(C)OC(=O)C(=CC1=CC=CC=C1)C#N |
| InChIKey | XYGKVHUAQHIFLA-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-cyano-3-phenylprop-2-enoate
Property Insights of Tert-butyl 2-cyano-3-phenylprop-2-enoate
The XLogP value of 3.0 indicates that Tert-butyl 2-cyano-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Tert-butyl 2-cyano-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-cyano-3-phenylprop-2-enoate has 0 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 Tert-butyl 2-cyano-3-phenylprop-2-enoate?
The CAS number of Tert-butyl 2-cyano-3-phenylprop-2-enoate is 1247933-22-7.
What is the molecular formula of Tert-butyl 2-cyano-3-phenylprop-2-enoate?
The molecular formula of Tert-butyl 2-cyano-3-phenylprop-2-enoate is C14H15NO2.
What is the molecular weight of Tert-butyl 2-cyano-3-phenylprop-2-enoate?
The molecular weight of Tert-butyl 2-cyano-3-phenylprop-2-enoate is 229.11028 g/mol.
Where can I buy Tert-butyl 2-cyano-3-phenylprop-2-enoate?
You can request a quote for Tert-butyl 2-cyano-3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 2-cyano-3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-cyano-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.