N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline
TL;DR: N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline (CAS 332107-64-9) is a chemical compound with molecular formula C16H17FN2O4 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-fluoro-2-methylaniline
Also Known As: BAS 01124618, N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline, N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-fluoro-2-methylaniline, (4,5-Dimethoxy-2-nitro-benzyl)-(4-fluoro-2-methyl-phenyl)-amine, N-(4,5-DIMETHOXY-2-NITROBENZYL)-N-(4-FLUORO-2-METHYLPHENYL)AMINE
| Molecular Formula | C16H17FN2O4 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.67162 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.11725 |
| Heavy Atoms | 23 |
| Complexity | 734.26044 |
Chemical Identifiers
| CAS Number | 332107-64-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)NCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC |
Product Overview
N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline (CAS 332107-64-9), with molecular formula C16H17FN2O4 and molecular weight 320.12 g/mol. IUPAC: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-fluoro-2-methylaniline.
Chemical Property Profile of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline
Property Insights of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline
The XLogP value of 3.67162 indicates that N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline. Following Lipinski's Rule of Five, N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline has 1 hydrogen bond donor(s) and 5 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-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline?
The CAS number of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline is 332107-64-9.
What is the molecular formula of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline?
The molecular formula of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline is C16H17FN2O4.
What is the molecular weight of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline?
The molecular weight of N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline is 320.12 g/mol.
Where can I buy N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline?
You can request a quote for N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dimethoxy-2-nitrobenzyl)-4-fluoro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.