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Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate
TL;DR: Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate (CAS 72764-27-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate
Also Known As: ethyl 3-cyanobicyclo[2.2.2]octane-4-carboxylate, Ethyl 2-cyanobicylo<2,2,2>octane-1-carboxylate, Ethyl 7-cyanobicyclo[2.2.2]octane-1-carboxylate, ETHYL 2-CYANOBICYCLO[2.2.2]OCTANE-1-CARBOXYLATE, Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.26958 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 297.2342 |
Chemical Identifiers
| CAS Number | 72764-27-3 |
|---|---|
| SMILES | CCOC(=O)C12CCC(CC1)CC2C#N |
Product Overview
Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate (CAS 72764-27-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate.
Chemical Property Profile of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate
Property Insights of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate
The XLogP value of 2.26958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate?
The CAS number of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate is 72764-27-3.
What is the molecular formula of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate?
The molecular formula of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate is C12H17NO2.
What is the molecular weight of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate?
The molecular weight of Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate is 207.13 g/mol.
Where can I buy Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate?
You can request a quote for Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.