3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline
TL;DR: 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline (CAS 861444-25-9) is a chemical compound with molecular formula C13H9Cl2F2N and molecular weight 287.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroaniline
Also Known As: 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline, AB01319751-02, 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroaniline, (3-chloro-4-fluorophenyl)[(6-chloro-2-fluorophenyl)methyl]amine
| Molecular Formula | C13H9Cl2F2N |
|---|---|
| Molecular Weight | 287.01 g/mol |
| LogP | 4.8837 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.00803 |
| Heavy Atoms | 18 |
| Complexity | 552.66284 |
Chemical Identifiers
| CAS Number | 861444-25-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CNC2=CC(=C(C=C2)F)Cl)F |
Product Overview
3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline (CAS 861444-25-9), with molecular formula C13H9Cl2F2N and molecular weight 287.01 g/mol. IUPAC: 3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroaniline.
Chemical Property Profile of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline
Property Insights of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline
The XLogP value of 4.8837 indicates that 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline 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 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline?
The CAS number of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline is 861444-25-9.
What is the molecular formula of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline?
The molecular formula of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline is C13H9Cl2F2N.
What is the molecular weight of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline?
The molecular weight of 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline is 287.01 g/mol.
Where can I buy 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline?
You can request a quote for 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(2-chloro-6-fluorobenzyl)-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.