2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
TL;DR: 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one (CAS 5398-99-2) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-methoxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: KST-1A5578, 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one, BAS 00883085, BIM-0007544.P001, J1.585.312C
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5398-99-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3S2 |
| InChIKey | DTKZJSCQDPXIJP-XNTDXEJSSA-N |
Product Overview
2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one (CAS 5398-99-2), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: (2E)-2-[(4-methoxyphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
Property Insights of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
The XLogP value of 4.1 indicates that 2-(4-methoxybenzylidene)-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 51.6 Ų, 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methoxybenzylidene)-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 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The CAS number of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is 5398-99-2.
What is the molecular formula of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular formula of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is C16H12O2S.
What is the molecular weight of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular weight of 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is 268.06 g/mol.
Where can I buy 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
You can request a quote for 2-(4-methoxybenzylidene)-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 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxybenzylidene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.