异烟酸乙酯-N-氧化物
TL;DR: 异烟酸乙酯-N-氧化物 (CAS 14906-37-7) 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.
异烟酸乙酯-N-氧化物
ethyl 1-oxidopyridin-1-ium-4-carboxylate
Also Known As: Ethyl isonicotinate 1-oxide, ETHYL ISONICOTINATE N-OXIDE, Ethylisonicotinate1-oxide, Ethyl isonicotinate1-oxide, ethyl 1-oxidopyridin-1-ium-4-carboxylate
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.4967 |
| Topological Polar Surface Area | 53.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 268.13638 |
Chemical Identifiers
| CAS Number | 14906-37-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=[N+](C=C1)[O-] |
Product Overview
异烟酸乙酯-N-氧化物 (CAS 14906-37-7), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: ethyl 1-oxidopyridin-1-ium-4-carboxylate.
Chemical Property Profile of 异烟酸乙酯-N-氧化物
Property Insights of 异烟酸乙酯-N-氧化物
The XLogP value of 0.4967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异烟酸乙酯-N-氧化物. With a topological polar surface area (TPSA) of 53.24 Ų, 异烟酸乙酯-N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异烟酸乙酯-N-氧化物 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 异烟酸乙酯-N-氧化物?
The CAS number of 异烟酸乙酯-N-氧化物 is 14906-37-7.
What is the molecular formula of 异烟酸乙酯-N-氧化物?
The molecular formula of 异烟酸乙酯-N-氧化物 is C8H9NO3.
What is the molecular weight of 异烟酸乙酯-N-氧化物?
The molecular weight of 异烟酸乙酯-N-氧化物 is 167.06 g/mol.
Where can I buy 异烟酸乙酯-N-氧化物?
You can request a quote for 异烟酸乙酯-N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟酸乙酯-N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 异烟酸乙酯-N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.