Butyl 3-pyridin-3-ylprop-2-enoate
TL;DR: Butyl 3-pyridin-3-ylprop-2-enoate (CAS 100390-47-4) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3-pyridin-3-ylprop-2-enoate
Also Known As: Butyl 3-pyridin-3-ylprop-2-enoate, butyl 3-(pyridin-3-yl)prop-2-enoate
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
| SMILES | CCCCOC(=O)C=CC1=CN=CC=C1 |
| InChIKey | ZCZUIAFIHCGERG-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 3-pyridin-3-ylprop-2-enoate
Property Insights of Butyl 3-pyridin-3-ylprop-2-enoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-pyridin-3-ylprop-2-enoate. With a topological polar surface area (TPSA) of 39.2 Ų, Butyl 3-pyridin-3-ylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-pyridin-3-ylprop-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 Butyl 3-pyridin-3-ylprop-2-enoate?
The CAS number of Butyl 3-pyridin-3-ylprop-2-enoate is 100390-47-4.
What is the molecular formula of Butyl 3-pyridin-3-ylprop-2-enoate?
The molecular formula of Butyl 3-pyridin-3-ylprop-2-enoate is C12H15NO2.
What is the molecular weight of Butyl 3-pyridin-3-ylprop-2-enoate?
The molecular weight of Butyl 3-pyridin-3-ylprop-2-enoate is 205.11028 g/mol.
Where can I buy Butyl 3-pyridin-3-ylprop-2-enoate?
You can request a quote for Butyl 3-pyridin-3-ylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 3-pyridin-3-ylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Butyl 3-pyridin-3-ylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.