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Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
TL;DR: Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate (CAS 176199-50-1) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
Also Known As: Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate, 6167AA, 4CH-016976, ethyl 2-oxobicyclo3.1.0hexane-6-carboxylate, ethyl 4-oxobicyclo[3.1.0]hexane-6-carboxylate
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 176199-50-1 |
|---|---|
| SMILES | CCOC(=O)C1C2C1C(=O)CC2 |
| InChIKey | WTXWGJHLNCVWJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate (CAS 176199-50-1), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate.
Chemical Property Profile of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
Property Insights of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxobicyclo[3.1.0]hexane-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 2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The CAS number of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate is 176199-50-1.
What is the molecular formula of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The molecular formula of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate is C9H12O3.
What is the molecular weight of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The molecular weight of Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate is 168.08 g/mol.
Where can I buy Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate?
You can request a quote for Ethyl 2-oxobicyclo[3.1.0]hexane-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 2-oxobicyclo[3.1.0]hexane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.