2-(Cyclohexylmethylene)malononitrile
TL;DR: 2-(Cyclohexylmethylene)malononitrile (CAS 73776-46-2) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylmethylidene)propanedinitrile
Also Known As: 2-(cyclohexylmethylidene)propanedinitrile, 2-(Cyclohexylmethylene)malononitrile, Cyclohexylmethylenemalononitrile, (CYCLOHEXYLMETHYLENE)MALONONITRILE, (Cyclohexylmethylidene)propanedinitrile
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 73776-46-2 |
|---|---|
| SMILES | C1CCC(CC1)C=C(C#N)C#N |
| InChIKey | IRQZCBXAJLFHMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Cyclohexylmethylene)malononitrile (CAS 73776-46-2), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 2-(cyclohexylmethylidene)propanedinitrile.
Chemical Property Profile of 2-(Cyclohexylmethylene)malononitrile
Property Insights of 2-(Cyclohexylmethylene)malononitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclohexylmethylene)malononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(Cyclohexylmethylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohexylmethylene)malononitrile 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 2-(Cyclohexylmethylene)malononitrile?
The CAS number of 2-(Cyclohexylmethylene)malononitrile is 73776-46-2.
What is the molecular formula of 2-(Cyclohexylmethylene)malononitrile?
The molecular formula of 2-(Cyclohexylmethylene)malononitrile is C10H12N2.
What is the molecular weight of 2-(Cyclohexylmethylene)malononitrile?
The molecular weight of 2-(Cyclohexylmethylene)malononitrile is 160.10 g/mol.
Where can I buy 2-(Cyclohexylmethylene)malononitrile?
You can request a quote for 2-(Cyclohexylmethylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylmethylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylmethylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.