(5-Chloro-3-pyridinyl)methyl 3-pyridineacetate
TL;DR: (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate (CAS 41669-23-2) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-3-pyridinyl)methyl 2-pyridin-3-ylacetate
Also Known As: (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate, (5-chloropyridin-3-yl)methyl 2-pyridin-3-ylacetate, (5-chloropyridin-3-yl)methyl pyridin-3-ylacetate, (5-Chloropyridin-3-yl)methyl (pyridin-3-yl)acetate
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 41669-23-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CC(=O)OCC2=CC(=CN=C2)Cl |
| InChIKey | AEVCHPNDJLDPJS-UHFFFAOYSA-N |
Product Overview
(5-Chloro-3-pyridinyl)methyl 3-pyridineacetate (CAS 41669-23-2), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: (5-chloro-3-pyridinyl)methyl 2-pyridin-3-ylacetate.
Chemical Property Profile of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate
Property Insights of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate. With a topological polar surface area (TPSA) of 52.1 Ų, (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate has 0 hydrogen bond donor(s) and 4 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 (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate?
The CAS number of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate is 41669-23-2.
What is the molecular formula of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate?
The molecular formula of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate is C13H11ClN2O2.
What is the molecular weight of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate?
The molecular weight of (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate is 262.05 g/mol.
Where can I buy (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate?
You can request a quote for (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.