![Bicyclo[2.2.2]octane-2-carbonitrile structure](/static/products/881/88155-39-9.png)
Bicyclo[2.2.2]octane-2-carbonitrile
TL;DR: Bicyclo[2.2.2]octane-2-carbonitrile (CAS 88155-39-9) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]octane-2-carbonitrile
Also Known As: bicyclo[2.2.2]octane-2-carbonitrile, 2-Cyanobicyclooctan, 2-cyanobicyclo[2.2.2]octane, bicyclo[2.2.2]octane-3-carbonitrile, bicyclo[2.2.2]octane-7-carbonitrile
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 88155-39-9 |
|---|---|
| SMILES | C1CC2CCC1CC2C#N |
| InChIKey | FNWILXGSWPUHIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.2]octane-2-carbonitrile (CAS 88155-39-9), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: bicyclo[2.2.2]octane-2-carbonitrile.
Chemical Property Profile of Bicyclo[2.2.2]octane-2-carbonitrile
Property Insights of Bicyclo[2.2.2]octane-2-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]octane-2-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[2.2.2]octane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octane-2-carbonitrile has 0 hydrogen bond donor(s) and 1 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 Bicyclo[2.2.2]octane-2-carbonitrile?
The CAS number of Bicyclo[2.2.2]octane-2-carbonitrile is 88155-39-9.
What is the molecular formula of Bicyclo[2.2.2]octane-2-carbonitrile?
The molecular formula of Bicyclo[2.2.2]octane-2-carbonitrile is C9H13N.
What is the molecular weight of Bicyclo[2.2.2]octane-2-carbonitrile?
The molecular weight of Bicyclo[2.2.2]octane-2-carbonitrile is 135.10 g/mol.
Where can I buy Bicyclo[2.2.2]octane-2-carbonitrile?
You can request a quote for Bicyclo[2.2.2]octane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]octane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]octane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.