3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline
TL;DR: 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline (CAS 861226-54-2) is a chemical compound with molecular formula C14H13ClFNO and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
Also Known As: 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline, 3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline, 3-Chloro-N-(4-fluorobenzyl)-4-(methoxymethyl)aniline, N-(3-Chloro-4-methoxyphenyl)-4-fluorobenzylamine, 2(1H)-Pyrimidinone, 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-, hydrazone
| Molecular Formula | C14H13ClFNO |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 4.0998 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.06696 |
| Heavy Atoms | 18 |
| Complexity | 527.81726 |
Chemical Identifiers
| CAS Number | 861226-54-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)Cl |
Product Overview
3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline (CAS 861226-54-2), with molecular formula C14H13ClFNO and molecular weight 265.07 g/mol. IUPAC: 3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline.
Chemical Property Profile of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline
Property Insights of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline
The XLogP value of 4.0998 indicates that 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline has 1 hydrogen bond donor(s) and 2 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-(4-fluorobenzyl)-4-methoxyaniline?
The CAS number of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline is 861226-54-2.
What is the molecular formula of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline?
The molecular formula of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline is C14H13ClFNO.
What is the molecular weight of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline?
The molecular weight of 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline is 265.07 g/mol.
Where can I buy 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline?
You can request a quote for 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline 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-(4-fluorobenzyl)-4-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-(4-fluorobenzyl)-4-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.