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 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.4381 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 319.6538 |
Chemical Identifiers
| CAS Number | 100390-47-4 |
|---|---|
| SMILES | CCCCOC(=O)C=CC1=CN=CC=C1 |
Product Overview
Butyl 3-pyridin-3-ylprop-2-enoate (CAS 100390-47-4), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: butyl 3-pyridin-3-ylprop-2-enoate.
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 2.4381 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 39.19 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
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 205.11 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-pyridin-3-ylprop-2-enoate?
Yes, KEHONG BIO 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.