(1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime
TL;DR: (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime (CAS 328023-87-6) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-methylphenyl)ethylideneamino] 3-nitrobenzoate
Also Known As: BAS 00295548, 1-(4-methylphenyl)ethanone O-(3-nitrobenzoyl)oxime, (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime, (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime #, Benzoic acid, 3-nitro-, [1-(4-methylphenyl)ethylen]amino ester
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.48422 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 736.066 |
Chemical Identifiers
| CAS Number | 328023-87-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C |
Product Overview
(1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime (CAS 328023-87-6), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: [(E)-1-(4-methylphenyl)ethylideneamino] 3-nitrobenzoate.
Chemical Property Profile of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime
Property Insights of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime
The XLogP value of 3.48422 indicates that (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime. Following Lipinski's Rule of Five, (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime has 0 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 (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime?
The CAS number of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime is 328023-87-6.
What is the molecular formula of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime?
The molecular formula of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime is C16H14N2O4.
What is the molecular weight of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime?
The molecular weight of (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime is 298.10 g/mol.
Where can I buy (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime?
You can request a quote for (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-(4-Methylphenyl)ethanone o-(3-nitrobenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.