N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine
TL;DR: N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine (CAS 66040-53-7) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)methanimine
Also Known As: J2.893.133F, N-(4-Nitrobenzylidene)-3,4-dimethoxybenzeneethanamine, N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine, (2-(3,4-dimethoxy-phenyl)-ethyl)-(4-nitro-benzylidene)-amine, N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)methanimine
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.2736 |
| Topological Polar Surface Area | 73.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 696.2396 |
Chemical Identifiers
| CAS Number | 66040-53-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=CC2=CC=C(C=C2)[N+](=O)[O-])OC |
Product Overview
N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine (CAS 66040-53-7), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)methanimine.
Chemical Property Profile of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine
Property Insights of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine
The XLogP value of 3.2736 indicates that N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine 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 N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine?
The CAS number of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine is 66040-53-7.
What is the molecular formula of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine?
The molecular formula of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine is C17H18N2O4.
What is the molecular weight of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine?
The molecular weight of N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine is 314.13 g/mol.
Where can I buy N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine?
You can request a quote for N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenylethyl)-1-(4-nitrophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.