Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate
TL;DR: Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate (CAS 97-81-4) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate
Also Known As: 2-Norbornanecarboxylic acid, 5,6-epoxy-, ethyl ester, Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate, Ethyl 3-oxatricyclo-(3.2.1.0(sup 2,4))octane-6-carboxylate, 3,4-Epoxy-2,5-endomethylenecyclohexanecarboxylic acid, ethyl ester, 3-Oxatricyclo(3.2.1.0(sup 2,4))octane-6-carboxylic acid, ethyl ester
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 0.9729 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 250.55441 |
Chemical Identifiers
| CAS Number | 97-81-4 |
|---|---|
| SMILES | CCOC(=O)C1CC2CC1C3C2O3 |
Product Overview
Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate (CAS 97-81-4), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: ethyl 3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate.
Chemical Property Profile of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate
Property Insights of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate
The XLogP value of 0.9729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate. With a topological polar surface area (TPSA) of 38.83 Ų, Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-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 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate?
The CAS number of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate is 97-81-4.
What is the molecular formula of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate?
The molecular formula of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate is C10H14O3.
What is the molecular weight of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate?
The molecular weight of Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate is 182.09 g/mol.
Where can I buy Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate?
You can request a quote for Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxatricyclo(3.2.1.02,4)octane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.