3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone
TL;DR: 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone (CAS 199992-27-3) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]phenyl]ethanone
Also Known As: 3'-(2-HYDROXY-3-METHOXY-5-NITROBENZYLIDENEAMINO)ACETOPHENONE, 1-(3-((2-Hydroxy-3-methoxy-5-nitrobenzylidene)amino)phenyl)ethanone, 6-[(3-acetylanilino)methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one, 6-[[(3-acetylphenyl)amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.2622 |
| Topological Polar Surface Area | 102.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 799.05273 |
Chemical Identifiers
| CAS Number | 199992-27-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N=CC2=C(C(=CC(=C2)[N+](=O)[O-])OC)O |
Product Overview
3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone (CAS 199992-27-3), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: 1-[3-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]phenyl]ethanone.
Chemical Property Profile of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone
Property Insights of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone
The XLogP value of 3.2622 indicates that 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone. Following Lipinski's Rule of Five, 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone 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 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone?
The CAS number of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone is 199992-27-3.
What is the molecular formula of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone?
The molecular formula of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone is C16H14N2O5.
What is the molecular weight of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone?
The molecular weight of 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone is 314.09 g/mol.
Where can I buy 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone?
You can request a quote for 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-(2-Hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.