![2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid structure](/static/products/7276/72764-23-9.webp)
2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid
TL;DR: 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid (CAS 72764-23-9) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanobicyclo[2.2.2]octane-1-carboxylic acid
Also Known As: 2-cyanobicyclo[2.2.2]octane-1-carboxylic acid, 3-cyanobicyclo[2.2.2]octane-4-carboxylic acid, 7-cyanobicyclo[2.2.2]octane-1-carboxylic Acid, Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.79108 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 271.13956 |
Chemical Identifiers
| CAS Number | 72764-23-9 |
|---|---|
| SMILES | C1CC2(CCC1CC2C#N)C(=O)O |
Product Overview
2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid (CAS 72764-23-9), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-cyanobicyclo[2.2.2]octane-1-carboxylic acid.
Chemical Property Profile of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid
Property Insights of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid
The XLogP value of 1.79108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid has 1 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-Cyanobicyclo[2.2.2]octane-1-carboxylic acid?
The CAS number of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid is 72764-23-9.
What is the molecular formula of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid?
The molecular formula of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid is C10H13NO2.
What is the molecular weight of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid?
The molecular weight of 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid is 179.09 g/mol.
Where can I buy 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid?
You can request a quote for 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanobicyclo[2.2.2]octane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.