ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate
TL;DR: ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate (CAS 5463-72-9) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate
Also Known As: ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate, Ethyl (2E)-2-(hydroxyimino)-3-(4-nitrophenyl)propanoate
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.5306 |
| Topological Polar Surface Area | 102.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 466.82684 |
Chemical Identifiers
| CAS Number | 5463-72-9 |
|---|---|
| SMILES | CCOC(=O)/C(=N/O)/CC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate (CAS 5463-72-9), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate
Property Insights of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate
The XLogP value of 1.5306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate. The TPSA of 102.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate has 1 hydrogen bond donor(s) and 6 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-(4-nitrophenyl)propanoate?
The CAS number of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate is 5463-72-9.
What is the molecular formula of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate?
The molecular formula of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate is C11H12N2O5.
What is the molecular weight of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate?
The molecular weight of ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate is 252.07 g/mol.
Where can I buy ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate?
You can request a quote for ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)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-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-hydroxyimino-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.