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Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate
TL;DR: Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate (CAS 27364-07-4) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Also Known As: ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 27364-07-4 |
|---|---|
| SMILES | CCOC(=O)C1C2C1C(=O)C=CC=C2 |
| InChIKey | RPYFHNXDZWPOEG-UHFFFAOYSA-N |
Product Overview
Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate (CAS 27364-07-4), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate.
Chemical Property Profile of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Property Insights of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-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 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate?
The CAS number of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate is 27364-07-4.
What is the molecular formula of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate?
The molecular formula of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate is C11H12O3.
What is the molecular weight of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate?
The molecular weight of Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate is 192.08 g/mol.
Where can I buy Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate?
You can request a quote for Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-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 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-oxobicyclo[5.1.0]octa-2,4-diene-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.