![4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol structure](/static/products/3390/339017-56-0.webp)
4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol
TL;DR: 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol (CAS 339017-56-0) is a chemical compound with molecular formula C21H16Cl2FNO2 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyliminomethyl]benzene-1,3-diol
Also Known As: 7M-777, 4-{[(4-chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol, 2-[(2-chloro-6-fluorophenyl)methyl]-4-[(1E)-{[(4-chlorophenyl)methyl]imino}methyl]benzene-1,3-diol, 2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyliminomethyl]benzene-1,3-diol, (4E)-2-[(2-chloro-6-fluorophenyl)methyl]-4-[[(4-chlorophenyl)methylamino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one
| Molecular Formula | C21H16Cl2FNO2 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 5.7536 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0542 |
| Heavy Atoms | 27 |
| Complexity | 967.9669 |
Chemical Identifiers
| CAS Number | 339017-56-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC2=C(C=CC(=C2O)C=NCC3=CC=C(C=C3)Cl)O)F |
Product Overview
4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol (CAS 339017-56-0), with molecular formula C21H16Cl2FNO2 and molecular weight 403.05 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyliminomethyl]benzene-1,3-diol.
Chemical Property Profile of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol
Property Insights of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol
The XLogP value of 5.7536 indicates that 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.82 Ų, 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol?
The CAS number of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol is 339017-56-0.
What is the molecular formula of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol?
The molecular formula of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol is C21H16Cl2FNO2.
What is the molecular weight of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol?
The molecular weight of 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol is 403.05 g/mol.
Where can I buy 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol?
You can request a quote for 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Chlorobenzyl)imino]methyl}-2-(2-chloro-6-fluorobenzyl)-1,3-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.