Cyclobutylidenemalononitrile
TL;DR: Cyclobutylidenemalononitrile (CAS 4415-81-0) is a chemical compound with molecular formula C7H6N2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclobutylidenepropanedinitrile
Also Known As: cyclobutylidenemalononitrile, 2-cyclobutylidenemalononitrile, 2-cyclobutylidenepropanedinitrile, propanedinitrile, cyclobutylidene-, InChI=1/C7H6N2/c8-4-7(5-9)6-2-1-3-6/h1-3H
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.0531 |
| Heavy Atoms | 9 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 4415-81-0 |
|---|---|
| SMILES | C1CC(=C(C#N)C#N)C1 |
| InChIKey | CRGHZXFEYRHWEG-UHFFFAOYSA-N |
Product Overview
Cyclobutylidenemalononitrile (CAS 4415-81-0), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: 2-cyclobutylidenepropanedinitrile.
Chemical Property Profile of Cyclobutylidenemalononitrile
Property Insights of Cyclobutylidenemalononitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutylidenemalononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Cyclobutylidenemalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutylidenemalononitrile 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 Cyclobutylidenemalononitrile?
The CAS number of Cyclobutylidenemalononitrile is 4415-81-0.
What is the molecular formula of Cyclobutylidenemalononitrile?
The molecular formula of Cyclobutylidenemalononitrile is C7H6N2.
What is the molecular weight of Cyclobutylidenemalononitrile?
The molecular weight of Cyclobutylidenemalononitrile is 118.05 g/mol.
Where can I buy Cyclobutylidenemalononitrile?
You can request a quote for Cyclobutylidenemalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutylidenemalononitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutylidenemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.