n-Methyl-3-nitrobiphenyl-4-amine
TL;DR: n-Methyl-3-nitrobiphenyl-4-amine (CAS 56309-94-5) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-nitro-4-phenylaniline
Also Known As: n-methyl-3-nitrobiphenyl-4-amine, N-methyl-2-nitro-4-phenylaniline, N-Methyl-3-nitro[1,1'-biphenyl]-4-amine, N-METHYL-3-NITRO-[1,1'-BIPHENYL]-4-AMINE, N-Methyl-3-nitro-[1,1 inverted exclamation mark -biphenyl]-4-amine
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 56309-94-5 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | LTDSADSPDPDWRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Methyl-3-nitrobiphenyl-4-amine (CAS 56309-94-5), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-methyl-2-nitro-4-phenylaniline.
Chemical Property Profile of n-Methyl-3-nitrobiphenyl-4-amine
Property Insights of n-Methyl-3-nitrobiphenyl-4-amine
The XLogP value of 4.0 indicates that n-Methyl-3-nitrobiphenyl-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, n-Methyl-3-nitrobiphenyl-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Methyl-3-nitrobiphenyl-4-amine has 1 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-3-nitrobiphenyl-4-amine?
The CAS number of n-Methyl-3-nitrobiphenyl-4-amine is 56309-94-5.
What is the molecular formula of n-Methyl-3-nitrobiphenyl-4-amine?
The molecular formula of n-Methyl-3-nitrobiphenyl-4-amine is C13H12N2O2.
What is the molecular weight of n-Methyl-3-nitrobiphenyl-4-amine?
The molecular weight of n-Methyl-3-nitrobiphenyl-4-amine is 228.09 g/mol.
Where can I buy n-Methyl-3-nitrobiphenyl-4-amine?
You can request a quote for n-Methyl-3-nitrobiphenyl-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methyl-3-nitrobiphenyl-4-amine?
Yes, KEHONG BIO provides custom synthesis services for n-Methyl-3-nitrobiphenyl-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.