Malononitrile, phenethylidene-
TL;DR: Malononitrile, phenethylidene- (CAS 3695-83-8) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylidene)propanedinitrile
Also Known As: Phenethylidenemalononitrile, Phenaethyliden-malonitril, MALONONITRILE, PHENETHYLIDENE-, Phenaethyliden-malonitril [German], 2-Phenethylidenemalononitrile
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 3695-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC=C(C#N)C#N |
| InChIKey | RRWBPVANBBZXNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malononitrile, phenethylidene- (CAS 3695-83-8), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 2-(2-phenylethylidene)propanedinitrile.
Chemical Property Profile of Malononitrile, phenethylidene-
Property Insights of Malononitrile, phenethylidene-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, phenethylidene-. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile, phenethylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, phenethylidene- has 0 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 Malononitrile, phenethylidene-?
The CAS number of Malononitrile, phenethylidene- is 3695-83-8.
What is the molecular formula of Malononitrile, phenethylidene-?
The molecular formula of Malononitrile, phenethylidene- is C11H8N2.
What is the molecular weight of Malononitrile, phenethylidene-?
The molecular weight of Malononitrile, phenethylidene- is 168.07 g/mol.
Where can I buy Malononitrile, phenethylidene-?
You can request a quote for Malononitrile, phenethylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, phenethylidene-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, phenethylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.