6-(Acetoxymethyl)pyridin-3-yl acetate
TL;DR: 6-(Acetoxymethyl)pyridin-3-yl acetate (CAS 31364-42-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2-pyridinyl)methyl acetate
Also Known As: 6-(Acetoxymethyl)pyridin-3-yl acetate, (5-acetyloxypyridin-2-yl)methyl acetate, 2-acetoxymethyl-5-acetoxypyridine, 6-[(acetyloxy)methyl]pyridin-3-yl acetate, 6-(Acetoxymethyl)pyridin-3-ylacetate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 31364-42-8 |
|---|---|
| SMILES | CC(=O)OCC1=NC=C(C=C1)OC(=O)C |
| InChIKey | DRNSHBVPGCBAGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Acetoxymethyl)pyridin-3-yl acetate (CAS 31364-42-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: (5-acetyloxy-2-pyridinyl)methyl acetate.
Chemical Property Profile of 6-(Acetoxymethyl)pyridin-3-yl acetate
Property Insights of 6-(Acetoxymethyl)pyridin-3-yl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetoxymethyl)pyridin-3-yl acetate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Acetoxymethyl)pyridin-3-yl acetate. Following Lipinski's Rule of Five, 6-(Acetoxymethyl)pyridin-3-yl acetate has 0 hydrogen bond donor(s) and 5 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 6-(Acetoxymethyl)pyridin-3-yl acetate?
The CAS number of 6-(Acetoxymethyl)pyridin-3-yl acetate is 31364-42-8.
What is the molecular formula of 6-(Acetoxymethyl)pyridin-3-yl acetate?
The molecular formula of 6-(Acetoxymethyl)pyridin-3-yl acetate is C10H11NO4.
What is the molecular weight of 6-(Acetoxymethyl)pyridin-3-yl acetate?
The molecular weight of 6-(Acetoxymethyl)pyridin-3-yl acetate is 209.07 g/mol.
Where can I buy 6-(Acetoxymethyl)pyridin-3-yl acetate?
You can request a quote for 6-(Acetoxymethyl)pyridin-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 6-(Acetoxymethyl)pyridin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetoxymethyl)pyridin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.