Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate
TL;DR: Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate (CAS 69747-92-8) is a chemical compound with molecular formula C18H18O5S and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate
Also Known As: AI-942/13332141, ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate, ethyl 2-[(5,5-dioxidodibenzo[b,d]thien-4-yl)oxy]-2-methylpropanoate, ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoat, Ethyl 2-[(5,5-dioxo-5H-5lambda~6~-dibenzo[b,d]thiophen-4-yl)oxy]-2-methylpropanoate
| Molecular Formula | C18H18O5S |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0875 |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 69747-92-8 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=CC2=C1S(=O)(=O)C3=CC=CC=C23 |
| InChIKey | IDLRSPVDXGCXAM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate (CAS 69747-92-8), with molecular formula C18H18O5S and molecular weight 346.09 g/mol. IUPAC: ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate
Property Insights of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate
The XLogP value of 3.3 indicates that Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate 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 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate?
The CAS number of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate is 69747-92-8.
What is the molecular formula of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate?
The molecular formula of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate is C18H18O5S.
What is the molecular weight of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate?
The molecular weight of Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate is 346.09 g/mol.
Where can I buy Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate?
You can request a quote for Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5,5-dioxodibenzothiophen-4-yl)oxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.