Propanedinitrile, cyclooctylidene-
TL;DR: Propanedinitrile, cyclooctylidene- (CAS 40106-05-6) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclooctylidenepropanedinitrile
Also Known As: cyclooctylidene-malononitrile, 2-Cyclooctylidenemalononitrile, cyclooctylidenemalononitrile, 2-cyclooctylidenepropanedinitrile, 2-Cyclooctylidenemalononitrile #
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 40106-05-6 |
|---|---|
| SMILES | C1CCCC(=C(C#N)C#N)CCC1 |
| InChIKey | KEAAYSLVXYFMHV-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, cyclooctylidene- (CAS 40106-05-6), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-cyclooctylidenepropanedinitrile.
Chemical Property Profile of Propanedinitrile, cyclooctylidene-
Property Insights of Propanedinitrile, cyclooctylidene-
The XLogP value of 3.0 indicates that Propanedinitrile, cyclooctylidene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, cyclooctylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, cyclooctylidene- 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, cyclooctylidene-?
The CAS number of Propanedinitrile, cyclooctylidene- is 40106-05-6.
What is the molecular formula of Propanedinitrile, cyclooctylidene-?
The molecular formula of Propanedinitrile, cyclooctylidene- is C11H14N2.
What is the molecular weight of Propanedinitrile, cyclooctylidene-?
The molecular weight of Propanedinitrile, cyclooctylidene- is 174.12 g/mol.
Where can I buy Propanedinitrile, cyclooctylidene-?
You can request a quote for Propanedinitrile, cyclooctylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, cyclooctylidene-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, cyclooctylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.