Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate
TL;DR: Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate (CAS 22629-06-7) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-2-cyanoprop-2-enoate
Also Known As: Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate, ethyl 3-(5-bicyclo[2.2.1]hept-2-enyl)-2-cyanoprop-2-enoate, Ethyl 3-(bicyclo[2.2.1]hept-5-en-2-yl)-2-cyanoacrylate, 2,5-Methylen-1,2,5,6-tetrahydro-benzal-cyanessigsaeure-aethylester, ethyl 3-(bicyclo[2.2.1]hept-5-en-2-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 22629-06-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC1CC2CC1C=C2)C#N |
| InChIKey | QDKKMCUNXYYFMC-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate (CAS 22629-06-7), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: ethyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate
Property Insights of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate 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 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate?
The CAS number of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate is 22629-06-7.
What is the molecular formula of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate?
The molecular formula of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate is C13H15NO2.
What is the molecular weight of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate?
The molecular weight of Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate is 217.11 g/mol.
Where can I buy Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate?
You can request a quote for Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.