![2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one structure](/static/products/116/1164483-31-1.png)
2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one
TL;DR: 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one (CAS 1164483-31-1) is a chemical compound with molecular formula C19H18O2S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-butoxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one, BAS 00491188, 2-(4-butoxybenzylidene)-1-benzothiophen-3(2H)-one, (2E)-2-[(4-butoxyphenyl)methylidene]-1-benzothiophen-3-one, (2E)-2-(4-butoxybenzylidene)benzothiophen-3-one
| Molecular Formula | C19H18O2S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 5.195 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.10275 |
| Heavy Atoms | 22 |
| Complexity | 701.63007 |
Chemical Identifiers
| CAS Number | 1164483-31-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 |
Product Overview
2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one (CAS 1164483-31-1), with molecular formula C19H18O2S and molecular weight 310.10 g/mol. IUPAC: (2E)-2-[(4-butoxyphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one
Property Insights of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one
The XLogP value of 5.195 indicates that 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-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, 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one?
The CAS number of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one is 1164483-31-1.
What is the molecular formula of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one?
The molecular formula of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one is C19H18O2S.
What is the molecular weight of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one?
The molecular weight of 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one is 310.10 g/mol.
Where can I buy 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one?
You can request a quote for 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.