Methyl 4-pyridylacetate
TL;DR: Methyl 4-pyridylacetate (CAS 29800-89-3) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-pyridin-4-ylacetate
Also Known As: Methyl 2-(pyridin-4-yl)acetate, Methyl 4-Pyridinylacetate, Methyl 4-pyridylacetate, null, methyl pyridin-4-ylacetate
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 29800-89-3 |
|---|---|
| SMILES | COC(=O)CC1=CC=NC=C1 |
| InChIKey | ZOKQLMMQYVXILS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-pyridylacetate (CAS 29800-89-3), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: methyl 2-pyridin-4-ylacetate.
Chemical Property Profile of Methyl 4-pyridylacetate
Property Insights of Methyl 4-pyridylacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-pyridylacetate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 4-pyridylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-pyridylacetate 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 4-pyridylacetate?
The CAS number of Methyl 4-pyridylacetate is 29800-89-3.
What is the molecular formula of Methyl 4-pyridylacetate?
The molecular formula of Methyl 4-pyridylacetate is C8H9NO2.
What is the molecular weight of Methyl 4-pyridylacetate?
The molecular weight of Methyl 4-pyridylacetate is 151.06 g/mol.
Where can I buy Methyl 4-pyridylacetate?
You can request a quote for Methyl 4-pyridylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-pyridylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-pyridylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.