3-Acetoxy-4-methylpyridine
TL;DR: 3-Acetoxy-4-methylpyridine (CAS 1006-96-8) 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.
(4-methyl-3-pyridinyl) acetate
Also Known As: 3-Acetoxy-4-methylpyridine, (4-methylpyridin-3-yl) acetate, 3-ACETOXY-4-PICOLINE, 4-METHYLPYRIDIN-3-YL ACETATE, Acetic acid 4-methyl-3-pyridinyl ester
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1006-96-8 |
|---|---|
| SMILES | CC1=C(C=NC=C1)OC(=O)C |
| InChIKey | JLIFSYCXGJGLGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxy-4-methylpyridine (CAS 1006-96-8), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: (4-methyl-3-pyridinyl) acetate.
Chemical Property Profile of 3-Acetoxy-4-methylpyridine
Property Insights of 3-Acetoxy-4-methylpyridine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-4-methylpyridine. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Acetoxy-4-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-4-methylpyridine 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-Acetoxy-4-methylpyridine?
The CAS number of 3-Acetoxy-4-methylpyridine is 1006-96-8.
What is the molecular formula of 3-Acetoxy-4-methylpyridine?
The molecular formula of 3-Acetoxy-4-methylpyridine is C8H9NO2.
What is the molecular weight of 3-Acetoxy-4-methylpyridine?
The molecular weight of 3-Acetoxy-4-methylpyridine is 151.06 g/mol.
Where can I buy 3-Acetoxy-4-methylpyridine?
You can request a quote for 3-Acetoxy-4-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-4-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-4-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.