Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate
TL;DR: Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate (CAS 259729-55-0) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate
Also Known As: Ethyl 3-(2-Pyridinyl)acrylate, N-Oxide, Ethyl 3-(1-oxidopyridin-6-yl)prop-2-enoate, ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate, 2-[(1E)-3-ETHOXY-3-OXOPROP-1-EN-1-YL]PYRIDIN-1-IUM-1-OLATE
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.8963 |
| Topological Polar Surface Area | 53.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 346.97528 |
Chemical Identifiers
| CAS Number | 259729-55-0 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=CC=[N+]1[O-] |
Product Overview
Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate (CAS 259729-55-0), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate
Property Insights of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate
The XLogP value of 0.8963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 53.24 Ų, Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate 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 Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate?
The CAS number of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate is 259729-55-0.
What is the molecular formula of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate?
The molecular formula of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate is C10H11NO3.
What is the molecular weight of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate?
The molecular weight of Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate is 193.07 g/mol.
Where can I buy Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate?
You can request a quote for Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.