1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone
TL;DR: 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone (CAS 70945-41-4) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methoxy-2-(2-nitroethylideneamino)phenyl]ethanone
Also Known As: 5'-Methoxy-2'-[2-nitroethylideneamino]acetophenone, 1-[5-Methoxy-2-[(2-nitroethylidene)amino]phenyl]ethanone, Ethanone, 1-[5-methoxy-2-[(2-nitroethylidene)amino]phenyl]-, 1-[5-methoxy-2-(2-nitroethylideneamino)phenyl]ethanone, 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 70945-41-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)OC)N=CC[N+](=O)[O-] |
| InChIKey | CEVYABHIZGRDAO-UHFFFAOYSA-N |
Product Overview
1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone (CAS 70945-41-4), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 1-[5-methoxy-2-(2-nitroethylideneamino)phenyl]ethanone.
Chemical Property Profile of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone
Property Insights of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone 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 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone?
The CAS number of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone is 70945-41-4.
What is the molecular formula of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone?
The molecular formula of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone is C11H12N2O4.
What is the molecular weight of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone?
The molecular weight of 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone is 236.08 g/mol.
Where can I buy 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone?
You can request a quote for 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methoxy-2-((2-nitroethylidene)amino)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.