n-Methylidene-4-nitroaniline
TL;DR: n-Methylidene-4-nitroaniline (CAS 5727-45-7) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)methanimine
Also Known As: n-methylidene-4-nitroaniline, N-(4-nitrophenyl)methanimine, Benzenamine,N-methylene-4-nitro-, NCI60_003407, RefChem:364629
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 5727-45-7 |
|---|---|
| SMILES | C=NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | HXHIWKCPLNZQQD-UHFFFAOYSA-N |
Product Overview
n-Methylidene-4-nitroaniline (CAS 5727-45-7), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: N-(4-nitrophenyl)methanimine.
Chemical Property Profile of n-Methylidene-4-nitroaniline
Property Insights of n-Methylidene-4-nitroaniline
The XLogP value of 3.4 indicates that n-Methylidene-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, n-Methylidene-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Methylidene-4-nitroaniline 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-Methylidene-4-nitroaniline?
The CAS number of n-Methylidene-4-nitroaniline is 5727-45-7.
What is the molecular formula of n-Methylidene-4-nitroaniline?
The molecular formula of n-Methylidene-4-nitroaniline is C7H6N2O2.
What is the molecular weight of n-Methylidene-4-nitroaniline?
The molecular weight of n-Methylidene-4-nitroaniline is 150.04 g/mol.
Where can I buy n-Methylidene-4-nitroaniline?
You can request a quote for n-Methylidene-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methylidene-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n-Methylidene-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.