Ethanone, 1-(4-nitrophenyl)-, oxime
TL;DR: Ethanone, 1-(4-nitrophenyl)-, oxime (CAS 59862-56-5) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-nitrophenyl)ethylidene]hydroxylamine
Also Known As: Ethanone, 1-(4-nitrophenyl)-, oxime, 1-(4-nitrophenyl)ethanone oxime, N-[1-(4-nitrophenyl)ethylidene]hydroxylamine, 1-(4-Nitro-phenyl)-ethanone oxime, Acetophenone, 4'-nitro-, oxime
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 59862-56-5 |
|---|---|
| SMILES | CC(=NO)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GFNBZVFYQPTWRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-nitrophenyl)-, oxime (CAS 59862-56-5), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-[1-(4-nitrophenyl)ethylidene]hydroxylamine.
Chemical Property Profile of Ethanone, 1-(4-nitrophenyl)-, oxime
Property Insights of Ethanone, 1-(4-nitrophenyl)-, oxime
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-nitrophenyl)-, oxime. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-nitrophenyl)-, oxime. Following Lipinski's Rule of Five, Ethanone, 1-(4-nitrophenyl)-, oxime has 1 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 Ethanone, 1-(4-nitrophenyl)-, oxime?
The CAS number of Ethanone, 1-(4-nitrophenyl)-, oxime is 59862-56-5.
What is the molecular formula of Ethanone, 1-(4-nitrophenyl)-, oxime?
The molecular formula of Ethanone, 1-(4-nitrophenyl)-, oxime is C8H8N2O3.
What is the molecular weight of Ethanone, 1-(4-nitrophenyl)-, oxime?
The molecular weight of Ethanone, 1-(4-nitrophenyl)-, oxime is 180.05 g/mol.
Where can I buy Ethanone, 1-(4-nitrophenyl)-, oxime?
You can request a quote for Ethanone, 1-(4-nitrophenyl)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-nitrophenyl)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-nitrophenyl)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.