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Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
TL;DR: Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (CAS 38853-56-4) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Also Known As: Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate, 8-carboethoxy-8-azabicyclo[3.2.1]oct-2-ene, ethyl 8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate, 8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, ethyl ester, Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate #
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 38853-56-4 |
|---|---|
| SMILES | CCOC(=O)N1C2CCC1C=CC2 |
| InChIKey | AQTLJSLLAUVKJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (CAS 38853-56-4), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.
Chemical Property Profile of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Property Insights of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-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 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The CAS number of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is 38853-56-4.
What is the molecular formula of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The molecular formula of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is C10H15NO2.
What is the molecular weight of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The molecular weight of Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is 181.11 g/mol.
Where can I buy Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
You can request a quote for Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.