(1-Methyl-2-oxopyridin-3-yl) acetate
TL;DR: (1-Methyl-2-oxopyridin-3-yl) acetate (CAS 22013-09-8) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2-oxo-3-pyridinyl) acetate
Also Known As: (1-methyl-2-oxopyridin-3-yl) acetate, 2(1H)-Pyridinone, 3-(acetyloxy)-1-methyl-, 1-methyl-2-oxo-1,2-dihydropyridin-3-yl acetate, 3-(ACETYLOXY)-1-METHYL-2(1H)-PYRIDINONE, 2(1H)-PYRIDONE, 3-HYDROXY-1-METHYL-, ACETATE (ESTER)
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 22013-09-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CN(C1=O)C |
| InChIKey | HPCZHRFGWBOEED-UHFFFAOYSA-N |
Product Overview
(1-Methyl-2-oxopyridin-3-yl) acetate (CAS 22013-09-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (1-methyl-2-oxo-3-pyridinyl) acetate.
Chemical Property Profile of (1-Methyl-2-oxopyridin-3-yl) acetate
Property Insights of (1-Methyl-2-oxopyridin-3-yl) acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methyl-2-oxopyridin-3-yl) acetate. With a topological polar surface area (TPSA) of 46.6 Ų, (1-Methyl-2-oxopyridin-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methyl-2-oxopyridin-3-yl) 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 (1-Methyl-2-oxopyridin-3-yl) acetate?
The CAS number of (1-Methyl-2-oxopyridin-3-yl) acetate is 22013-09-8.
What is the molecular formula of (1-Methyl-2-oxopyridin-3-yl) acetate?
The molecular formula of (1-Methyl-2-oxopyridin-3-yl) acetate is C8H9NO3.
What is the molecular weight of (1-Methyl-2-oxopyridin-3-yl) acetate?
The molecular weight of (1-Methyl-2-oxopyridin-3-yl) acetate is 167.06 g/mol.
Where can I buy (1-Methyl-2-oxopyridin-3-yl) acetate?
You can request a quote for (1-Methyl-2-oxopyridin-3-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methyl-2-oxopyridin-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-2-oxopyridin-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.