Propanedinitrile, 2-(1-phenylethylidene)-
TL;DR: Propanedinitrile, 2-(1-phenylethylidene)- (CAS 5447-87-0) 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-(1-phenylethylidene)propanedinitrile
Also Known As: 2-(1-Phenylethylidene)malononitrile, 1,1-Dicyano-2-phenylpropene, 2- malononitrile, (1-Phenylethylidene)malononitrile, 2-(1-phenylethylidene)propanedinitrile
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 5447-87-0 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC=CC=C1 |
| InChIKey | ZVOMMPYHGITOEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2-(1-phenylethylidene)- (CAS 5447-87-0), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 2-(1-phenylethylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-(1-phenylethylidene)-
Property Insights of Propanedinitrile, 2-(1-phenylethylidene)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-(1-phenylethylidene)-. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, 2-(1-phenylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, 2-(1-phenylethylidene)- 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 Propanedinitrile, 2-(1-phenylethylidene)-?
The CAS number of Propanedinitrile, 2-(1-phenylethylidene)- is 5447-87-0.
What is the molecular formula of Propanedinitrile, 2-(1-phenylethylidene)-?
The molecular formula of Propanedinitrile, 2-(1-phenylethylidene)- is C11H8N2.
What is the molecular weight of Propanedinitrile, 2-(1-phenylethylidene)-?
The molecular weight of Propanedinitrile, 2-(1-phenylethylidene)- is 168.07 g/mol.
Where can I buy Propanedinitrile, 2-(1-phenylethylidene)-?
You can request a quote for Propanedinitrile, 2-(1-phenylethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-(1-phenylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-(1-phenylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.