![ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate structure](/static/products/4742/474264-08-9.webp)
ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
TL;DR: ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate (CAS 474264-08-9) is a chemical compound with molecular formula C19H21ClO5 and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Also Known As: ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate, ethyl 6-(4-chlorobenzoyl)-6-ethyl-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate, ethyl 6-[(4-chlorophenyl)carbonyl]-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
| Molecular Formula | C19H21ClO5 |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 3.4338 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.10776 |
| Heavy Atoms | 25 |
| Complexity | 753.5829 |
Chemical Identifiers
| CAS Number | 474264-08-9 |
|---|---|
| SMILES | CCC1(C2C1(C(=O)OC2(C)C)C(=O)OCC)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate (CAS 474264-08-9), with molecular formula C19H21ClO5 and molecular weight 364.11 g/mol. IUPAC: ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate.
Chemical Property Profile of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Property Insights of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
The XLogP value of 3.4338 indicates that ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-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-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-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-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate?
The CAS number of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate is 474264-08-9.
What is the molecular formula of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate?
The molecular formula of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate is C19H21ClO5.
What is the molecular weight of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate?
The molecular weight of ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate is 364.11 g/mol.
Where can I buy ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate?
You can request a quote for ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-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-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(4-chlorobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.