4-Chloro-N-(4-fluorobenzyl)aniline
TL;DR: 4-Chloro-N-(4-fluorobenzyl)aniline (CAS 356531-46-9) is a chemical compound with molecular formula C13H11ClFN and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-fluorophenyl)methyl]aniline
Also Known As: 4-Chloro-N-(4-fluorobenzyl)aniline, 4-chloro-N-[(4-fluorophenyl)methyl]aniline, N-(4-Fluorobenzyl)-4-chloroaniline, J3.493.358H, N-(4-Chlorophenyl)-4-fluorobenzenemethanamine
| Molecular Formula | C13H11ClFN |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 4.0912 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05641 |
| Heavy Atoms | 16 |
| Complexity | 404.86374 |
Chemical Identifiers
| CAS Number | 356531-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CC=C(C=C2)Cl)F |
Product Overview
4-Chloro-N-(4-fluorobenzyl)aniline (CAS 356531-46-9), with molecular formula C13H11ClFN and molecular weight 235.06 g/mol. IUPAC: 4-chloro-N-[(4-fluorophenyl)methyl]aniline.
Chemical Property Profile of 4-Chloro-N-(4-fluorobenzyl)aniline
Property Insights of 4-Chloro-N-(4-fluorobenzyl)aniline
The XLogP value of 4.0912 indicates that 4-Chloro-N-(4-fluorobenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 4-Chloro-N-(4-fluorobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(4-fluorobenzyl)aniline has 1 hydrogen bond donor(s) and 1 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 4-Chloro-N-(4-fluorobenzyl)aniline?
The CAS number of 4-Chloro-N-(4-fluorobenzyl)aniline is 356531-46-9.
What is the molecular formula of 4-Chloro-N-(4-fluorobenzyl)aniline?
The molecular formula of 4-Chloro-N-(4-fluorobenzyl)aniline is C13H11ClFN.
What is the molecular weight of 4-Chloro-N-(4-fluorobenzyl)aniline?
The molecular weight of 4-Chloro-N-(4-fluorobenzyl)aniline is 235.06 g/mol.
Where can I buy 4-Chloro-N-(4-fluorobenzyl)aniline?
You can request a quote for 4-Chloro-N-(4-fluorobenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(4-fluorobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(4-fluorobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.