![ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate structure](/static/products/664/664987-47-7.png)
ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate
TL;DR: ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate (CAS 664987-47-7) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethyl-6-(4-ethylbenzoyl)-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Also Known As: ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate, ETHYL 6-ETHYL-6-(4-ETHYLBENZOYL)-4,4-DIMETHYL-2-OXO-3-OXABICYCLO[3.1.0]HEXANE-1-CARBOXYLATE, ethyl 6-ethyl-6-[(4-ethylphenyl)carbonyl]-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 3.3428 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 763.111 |
Chemical Identifiers
| CAS Number | 664987-47-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC3(C)C)C(=O)OCC)CC |
Product Overview
ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate (CAS 664987-47-7), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: ethyl 6-ethyl-6-(4-ethylbenzoyl)-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate.
Chemical Property Profile of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate
Property Insights of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate
The XLogP value of 3.3428 indicates that ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate has 0 hydrogen bond donor(s) and 5 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-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate?
The CAS number of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate is 664987-47-7.
What is the molecular formula of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate?
The molecular formula of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate is C21H26O5.
What is the molecular weight of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate?
The molecular weight of ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate is 358.18 g/mol.
Where can I buy ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate?
You can request a quote for ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-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-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-ethyl-6-(4-ethylbenzoyl)-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.