2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile
TL;DR: 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile (CAS 883822-92-2) is a chemical compound with molecular formula C17H11ClN2O and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]propanedinitrile
Also Known As: 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile, 2-{4-[(3-chlorobenzyl)oxy]benzylidene}malononitrile, 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]propanedinitrile, 2-({4-[(3-chlorophenyl)methoxy]phenyl}methylidene)propanedinitrile
| Molecular Formula | C17H11ClN2O |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 4.34956 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.056 |
| Heavy Atoms | 21 |
| Complexity | 720.6208 |
Chemical Identifiers
| CAS Number | 883822-92-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C=C(C#N)C#N |
Product Overview
2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile (CAS 883822-92-2), with molecular formula C17H11ClN2O and molecular weight 294.06 g/mol. IUPAC: 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile
Property Insights of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile
The XLogP value of 4.34956 indicates that 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile 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 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile?
The CAS number of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile is 883822-92-2.
What is the molecular formula of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile?
The molecular formula of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile is C17H11ClN2O.
What is the molecular weight of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile?
The molecular weight of 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile is 294.06 g/mol.
Where can I buy 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile?
You can request a quote for 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((3-Chlorobenzyl)oxy)benzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.