3-Pyridin-4-YL-acrylic acid methyl ester
TL;DR: 3-Pyridin-4-YL-acrylic acid methyl ester (CAS 7340-34-3) 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-4-ylprop-2-enoate
Also Known As: Methyl 3-(pyridin-4-yl)acrylate, (E)-Methyl 3-(pyridin-4-yl)acrylate, methyl 3-(4-pyridyl)acrylate, 4-Pyridineacrylic acid, methyl ester, METHYL-3-(4-PYRIDYL)ACRYLATE
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 7340-34-3 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=NC=C1 |
| InChIKey | LDVKAIRVYWBGHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridin-4-YL-acrylic acid methyl ester (CAS 7340-34-3), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: methyl 3-pyridin-4-ylprop-2-enoate.
Chemical Property Profile of 3-Pyridin-4-YL-acrylic acid methyl ester
Property Insights of 3-Pyridin-4-YL-acrylic acid methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridin-4-YL-acrylic acid methyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridin-4-YL-acrylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridin-4-YL-acrylic acid methyl ester 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 3-Pyridin-4-YL-acrylic acid methyl ester?
The CAS number of 3-Pyridin-4-YL-acrylic acid methyl ester is 7340-34-3.
What is the molecular formula of 3-Pyridin-4-YL-acrylic acid methyl ester?
The molecular formula of 3-Pyridin-4-YL-acrylic acid methyl ester is C9H9NO2.
What is the molecular weight of 3-Pyridin-4-YL-acrylic acid methyl ester?
The molecular weight of 3-Pyridin-4-YL-acrylic acid methyl ester is 163.06 g/mol.
Where can I buy 3-Pyridin-4-YL-acrylic acid methyl ester?
You can request a quote for 3-Pyridin-4-YL-acrylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridin-4-YL-acrylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridin-4-YL-acrylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.