Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate
TL;DR: Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate (CAS 54585-30-7) is a chemical compound with molecular formula C18H18O3S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate
Also Known As: ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate, ethyl 2-(dibenzo[b,d]thien-4-yloxy)-2-methylpropanoate, AI-942/13332139, ETHYL 2-(4-DIBENZOTHIOPHENOXY)-2-METHYLPROPIONATE
| Molecular Formula | C18H18O3S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 4.775 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09766 |
| Heavy Atoms | 22 |
| Complexity | 832.586 |
Chemical Identifiers
| CAS Number | 54585-30-7 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=CC2=C1SC3=CC=CC=C23 |
Product Overview
Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate (CAS 54585-30-7), with molecular formula C18H18O3S and molecular weight 314.10 g/mol. IUPAC: ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate
Property Insights of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate
The XLogP value of 4.775 indicates that Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate has 0 hydrogen bond donor(s) and 4 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-dibenzothiophen-4-yloxy-2-methylpropanoate?
The CAS number of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate is 54585-30-7.
What is the molecular formula of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate?
The molecular formula of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate is C18H18O3S.
What is the molecular weight of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate?
The molecular weight of Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate is 314.10 g/mol.
Where can I buy Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate?
You can request a quote for Ethyl 2-dibenzothiophen-4-yloxy-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-dibenzothiophen-4-yloxy-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-dibenzothiophen-4-yloxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.