![{4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile structure](/static/products/7096/709660-33-3.webp)
{4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile
TL;DR: {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile (CAS 709660-33-3) is a chemical compound with molecular formula C17H10ClFN2O and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
Also Known As: {4-[(2-chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile, 2-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)malononitrile, 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile, ({4-[(6-chloro-2-fluorophenyl)methoxy]phenyl}methylene)methane-1,1-dicarbonitr ile
| Molecular Formula | C17H10ClFN2O |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 4.48866 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.04657 |
| Heavy Atoms | 22 |
| Complexity | 749.53674 |
Chemical Identifiers
| CAS Number | 709660-33-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=C(C#N)C#N)F |
Product Overview
{4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile (CAS 709660-33-3), with molecular formula C17H10ClFN2O and molecular weight 312.05 g/mol. IUPAC: 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile.
Chemical Property Profile of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile
Property Insights of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile
The XLogP value of 4.48866 indicates that {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile has 0 hydrogen bond donor(s) and 3 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-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile?
The CAS number of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile is 709660-33-3.
What is the molecular formula of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile?
The molecular formula of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile is C17H10ClFN2O.
What is the molecular weight of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile?
The molecular weight of {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile is 312.05 g/mol.
Where can I buy {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile?
You can request a quote for {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {4-[(2-Chloro-6-fluorobenzyl)oxy]benzylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.