![Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate structure](/static/products/915/91562-63-9.png)
Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
TL;DR: Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate (CAS 91562-63-9) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
Also Known As: NCIOpen2_002213, ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate, endo-6-Carbaethoxy-3,8-dioxatricyclo<3.2.1.0>octan, Ethyl 3,8-dioxatricyclo[3.2.1.0~2,4~]octane-6-carboxylate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 91562-63-9 |
|---|---|
| SMILES | CCOC(=O)C1CC2C3C(C1O2)O3 |
| InChIKey | CTBFCPLDMFYQOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate (CAS 91562-63-9), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate.
Chemical Property Profile of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
Property Insights of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate. With a topological polar surface area (TPSA) of 48.1 Ų, Ethyl 3,8-dioxatricyclo[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 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate has 0 hydrogen bond donor(s) and 4 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 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate?
The CAS number of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate is 91562-63-9.
What is the molecular formula of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate?
The molecular formula of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate is C9H12O4.
What is the molecular weight of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate?
The molecular weight of Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate is 184.07 g/mol.
Where can I buy Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate?
You can request a quote for Ethyl 3,8-dioxatricyclo[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 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.