n-Methyl-2-nitro-4-phenoxyaniline
TL;DR: n-Methyl-2-nitro-4-phenoxyaniline (CAS 5576-52-3) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-nitro-4-phenoxyaniline
Also Known As: n-methyl-2-nitro-4-phenoxyaniline, n-methyl-2-nitro-4-phenoxy-aniline, 4-Phenoxy-2-nitro-N-methylanilin, Benzenamine, N-methyl-2-nitro-4-phenoxy-, 4-phenoxy-2-phenyl[1,3,5]triazino[1,2-a]benzimidazole (en)1,3,5-Triazino[1,2-a]benzimidazole, 4-phenoxy-2-phenyl- (en)
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 5576-52-3 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | YBZDGUKDRPGRLP-UHFFFAOYSA-N |
Product Overview
n-Methyl-2-nitro-4-phenoxyaniline (CAS 5576-52-3), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: N-methyl-2-nitro-4-phenoxyaniline.
Chemical Property Profile of n-Methyl-2-nitro-4-phenoxyaniline
Property Insights of n-Methyl-2-nitro-4-phenoxyaniline
The XLogP value of 3.7 indicates that n-Methyl-2-nitro-4-phenoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Methyl-2-nitro-4-phenoxyaniline. Following Lipinski's Rule of Five, n-Methyl-2-nitro-4-phenoxyaniline has 1 hydrogen bond donor(s) and 4 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-2-nitro-4-phenoxyaniline?
The CAS number of n-Methyl-2-nitro-4-phenoxyaniline is 5576-52-3.
What is the molecular formula of n-Methyl-2-nitro-4-phenoxyaniline?
The molecular formula of n-Methyl-2-nitro-4-phenoxyaniline is C13H12N2O3.
What is the molecular weight of n-Methyl-2-nitro-4-phenoxyaniline?
The molecular weight of n-Methyl-2-nitro-4-phenoxyaniline is 244.08 g/mol.
Where can I buy n-Methyl-2-nitro-4-phenoxyaniline?
You can request a quote for n-Methyl-2-nitro-4-phenoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methyl-2-nitro-4-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for n-Methyl-2-nitro-4-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.