(2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one
TL;DR: (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one (CAS 107152-96-5) is a chemical compound with molecular formula C17H14O2S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3-one
Also Known As: (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3-one, (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one
| Molecular Formula | C17H14O2S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 4.4148 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.07144 |
| Heavy Atoms | 20 |
| Complexity | 674.6443 |
Chemical Identifiers
| CAS Number | 107152-96-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=CC=C3)/S2 |
Product Overview
(2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one (CAS 107152-96-5), with molecular formula C17H14O2S and molecular weight 282.07 g/mol. IUPAC: (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3-one.
Chemical Property Profile of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one
Property Insights of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one
The XLogP value of 4.4148 indicates that (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one 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 (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one?
The CAS number of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one is 107152-96-5.
What is the molecular formula of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one?
The molecular formula of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one is C17H14O2S.
What is the molecular weight of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one?
The molecular weight of (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one is 282.07 g/mol.
Where can I buy (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one?
You can request a quote for (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-benzylidene-6-ethoxy-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.