N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline
TL;DR: N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline (CAS 306731-94-2) is a chemical compound with molecular formula C13H9ClF2N2O2 and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-3-nitrophenyl)methyl]-2,4-difluoroaniline
Also Known As: N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline, N-[(4-chloro-3-nitrophenyl)methyl]-2,4-difluoroaniline, AA-768/31452045, N-[(4-chloro-3-nitro-phenyl)methyl]-2,4-difluoro-aniline, C13H9ClF2N2O2
| Molecular Formula | C13H9ClF2N2O2 |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.03207 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 306731-94-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CNC2=C(C=C(C=C2)F)F)[N+](=O)[O-])Cl |
| InChIKey | MVPCNFIAXKVYBR-UHFFFAOYSA-N |
Product Overview
N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline (CAS 306731-94-2), with molecular formula C13H9ClF2N2O2 and molecular weight 298.03 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)methyl]-2,4-difluoroaniline.
Chemical Property Profile of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline
Property Insights of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline
The XLogP value of 4.1 indicates that N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline 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-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline 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-chloro-3-nitrobenzyl)-2,4-difluoroaniline?
The CAS number of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline is 306731-94-2.
What is the molecular formula of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline?
The molecular formula of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline is C13H9ClF2N2O2.
What is the molecular weight of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline?
The molecular weight of N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline is 298.03 g/mol.
Where can I buy N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline?
You can request a quote for N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-nitrobenzyl)-2,4-difluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.