N-methyl-1-(4-nitrophenyl)methanimine oxide
TL;DR: N-methyl-1-(4-nitrophenyl)methanimine oxide (CAS 16089-71-7) 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-methyl-1-(4-nitrophenyl)methanimine oxide
Also Known As: N-methyl-1-(4-nitrophenyl)methanimine oxide, methyl-[(4-nitrophenyl)methylidene]-oxido-azanium
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 16089-71-7 |
|---|---|
| SMILES | C[N+](=CC1=CC=C(C=C1)[N+](=O)[O-])[O-] |
| InChIKey | XTGQIXWPHQOCGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-1-(4-nitrophenyl)methanimine oxide (CAS 16089-71-7), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-methyl-1-(4-nitrophenyl)methanimine oxide.
Chemical Property Profile of N-methyl-1-(4-nitrophenyl)methanimine oxide
Property Insights of N-methyl-1-(4-nitrophenyl)methanimine oxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-1-(4-nitrophenyl)methanimine oxide. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-1-(4-nitrophenyl)methanimine oxide. Following Lipinski's Rule of Five, N-methyl-1-(4-nitrophenyl)methanimine oxide has 0 hydrogen bond donor(s) and 3 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-methyl-1-(4-nitrophenyl)methanimine oxide?
The CAS number of N-methyl-1-(4-nitrophenyl)methanimine oxide is 16089-71-7.
What is the molecular formula of N-methyl-1-(4-nitrophenyl)methanimine oxide?
The molecular formula of N-methyl-1-(4-nitrophenyl)methanimine oxide is C8H8N2O3.
What is the molecular weight of N-methyl-1-(4-nitrophenyl)methanimine oxide?
The molecular weight of N-methyl-1-(4-nitrophenyl)methanimine oxide is 180.05 g/mol.
Where can I buy N-methyl-1-(4-nitrophenyl)methanimine oxide?
You can request a quote for N-methyl-1-(4-nitrophenyl)methanimine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-1-(4-nitrophenyl)methanimine oxide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-1-(4-nitrophenyl)methanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.