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Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate
TL;DR: Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate (CAS 42858-39-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate
Also Known As: ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate, ethyl bicyclo[2.2.2]oct-2-ene-5-carboxylate, Ethyl bicyclo2.2.2oct-5-ene-2-carboxylate, 5-
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.1518 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 232.24478 |
Chemical Identifiers
| CAS Number | 42858-39-9 |
|---|---|
| SMILES | CCOC(=O)C1CC2CCC1C=C2 |
Product Overview
Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate (CAS 42858-39-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate.
Chemical Property Profile of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate
Property Insights of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate 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 Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate?
The CAS number of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate is 42858-39-9.
What is the molecular formula of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate?
The molecular formula of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate is C11H16O2.
What is the molecular weight of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate?
The molecular weight of Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate is 180.12 g/mol.
Where can I buy Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate?
You can request a quote for Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.