2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline
TL;DR: 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline (CAS 461399-89-3) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline
Also Known As: 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline, (2-methoxy-5-nitrophenyl)(naphthylmethyl)amine, N-(2-METHOXY-5-NITROPHENYL)-N-(1-NAPHTHYLMETHYL)AMINE
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 4.3687 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 856.5145 |
Chemical Identifiers
| CAS Number | 461399-89-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CC3=CC=CC=C32 |
Product Overview
2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline (CAS 461399-89-3), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline.
Chemical Property Profile of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline
Property Insights of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline
The XLogP value of 4.3687 indicates that 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline. Following Lipinski's Rule of Five, 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline 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 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline?
The CAS number of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline is 461399-89-3.
What is the molecular formula of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline?
The molecular formula of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline is C18H16N2O3.
What is the molecular weight of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline?
The molecular weight of 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline is 308.12 g/mol.
Where can I buy 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline?
You can request a quote for 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-N-(naphthalen-1-ylmethyl)-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.