(3-Methylpyridin-4-yl)methyl acetate
TL;DR: (3-Methylpyridin-4-yl)methyl acetate (CAS 18794-49-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-pyridinyl)methyl acetate
Also Known As: (3-methylpyridin-4-yl)methyl acetate, 3-Methyl-4-pyridinemethanol acetate, (3-Methyl-4-pyridinyl)methyl acetate, 4-acetoxymethyl-3-methylpyridine, (3-Methyl-4-pyridinyl)methyl acetate #
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 18794-49-5 |
|---|---|
| SMILES | CC1=C(C=CN=C1)COC(=O)C |
| InChIKey | CEWMIVBWLKCOMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methylpyridin-4-yl)methyl acetate (CAS 18794-49-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: (3-methyl-4-pyridinyl)methyl acetate.
Chemical Property Profile of (3-Methylpyridin-4-yl)methyl acetate
Property Insights of (3-Methylpyridin-4-yl)methyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylpyridin-4-yl)methyl acetate. With a topological polar surface area (TPSA) of 39.2 Ų, (3-Methylpyridin-4-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylpyridin-4-yl)methyl acetate 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-Methylpyridin-4-yl)methyl acetate?
The CAS number of (3-Methylpyridin-4-yl)methyl acetate is 18794-49-5.
What is the molecular formula of (3-Methylpyridin-4-yl)methyl acetate?
The molecular formula of (3-Methylpyridin-4-yl)methyl acetate is C9H11NO2.
What is the molecular weight of (3-Methylpyridin-4-yl)methyl acetate?
The molecular weight of (3-Methylpyridin-4-yl)methyl acetate is 165.08 g/mol.
Where can I buy (3-Methylpyridin-4-yl)methyl acetate?
You can request a quote for (3-Methylpyridin-4-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylpyridin-4-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylpyridin-4-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.