ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
TL;DR: ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate (CAS 7702-87-6) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
Also Known As: ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.2558 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 386.31042 |
Chemical Identifiers
| CAS Number | 7702-87-6 |
|---|---|
| SMILES | CCOC(=O)/C(=N/O)/CC1=CC=[N+](C=C1)[O-] |
Product Overview
ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate (CAS 7702-87-6), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate.
Chemical Property Profile of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
Property Insights of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
The XLogP value of 0.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate. Following Lipinski's Rule of Five, ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate has 1 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 ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate?
The CAS number of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate is 7702-87-6.
What is the molecular formula of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate?
The molecular formula of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate is C10H12N2O4.
What is the molecular weight of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate?
The molecular weight of ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate is 224.08 g/mol.
Where can I buy ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate?
You can request a quote for ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.