Methyl 3-(3-pyridyl)-2-propenoate
TL;DR: Methyl 3-(3-pyridyl)-2-propenoate (CAS 61859-84-5) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyridin-3-ylprop-2-enoate
Also Known As: Methyl 3-(pyridin-3-yl)acrylate, 3-Pyridineacrylic acid, methyl ester, methyl 3-(3-pyridyl)-2-propenoate, methyl 3-(3-pyridyl)prop-2-enoate, methyl 3-pyridin-3-ylprop-2-enoate
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 61859-84-5 |
|---|---|
| SMILES | COC(=O)C=CC1=CN=CC=C1 |
| InChIKey | APCQGKVIYRVRKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(3-pyridyl)-2-propenoate (CAS 61859-84-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: methyl 3-pyridin-3-ylprop-2-enoate.
Chemical Property Profile of Methyl 3-(3-pyridyl)-2-propenoate
Property Insights of Methyl 3-(3-pyridyl)-2-propenoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-pyridyl)-2-propenoate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 3-(3-pyridyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-pyridyl)-2-propenoate 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 Methyl 3-(3-pyridyl)-2-propenoate?
The CAS number of Methyl 3-(3-pyridyl)-2-propenoate is 61859-84-5.
What is the molecular formula of Methyl 3-(3-pyridyl)-2-propenoate?
The molecular formula of Methyl 3-(3-pyridyl)-2-propenoate is C9H9NO2.
What is the molecular weight of Methyl 3-(3-pyridyl)-2-propenoate?
The molecular weight of Methyl 3-(3-pyridyl)-2-propenoate is 163.06 g/mol.
Where can I buy Methyl 3-(3-pyridyl)-2-propenoate?
You can request a quote for Methyl 3-(3-pyridyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-pyridyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-pyridyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.