N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline
TL;DR: N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline (CAS 332108-46-0) is a chemical compound with molecular formula C14H12F2N2O2 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,6-difluorophenyl)methyl]-2-methyl-4-nitroaniline
Also Known As: N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline, N-[(2,6-difluorophenyl)methyl]-2-methyl-4-nitroaniline, AB00087500-01
| Molecular Formula | C14H12F2N2O2 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 3.79352 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.08667 |
| Heavy Atoms | 20 |
| Complexity | 639.3673 |
Chemical Identifiers
| CAS Number | 332108-46-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=C(C=CC=C2F)F |
Product Overview
N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline (CAS 332108-46-0), with molecular formula C14H12F2N2O2 and molecular weight 278.09 g/mol. IUPAC: N-[(2,6-difluorophenyl)methyl]-2-methyl-4-nitroaniline.
Chemical Property Profile of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline
Property Insights of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline
The XLogP value of 3.79352 indicates that N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline 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-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline?
The CAS number of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline is 332108-46-0.
What is the molecular formula of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline?
The molecular formula of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline is C14H12F2N2O2.
What is the molecular weight of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline?
The molecular weight of N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline is 278.09 g/mol.
Where can I buy N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline?
You can request a quote for N-(2,6-difluorobenzyl)-2-methyl-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-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-difluorobenzyl)-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.