![2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one structure](/static/products/2501/25015-96-7.webp)
2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one
TL;DR: 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one (CAS 25015-96-7) is a chemical compound with molecular formula C18H16O4S and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one, 2-[(3,4,5-trimethoxyphenyl)methylidene]benzothiophen-3-one, 2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzothiophen-3-one, 2-[(3,4,5-Trimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
| Molecular Formula | C18H16O4S |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.0419 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.07693 |
| Heavy Atoms | 23 |
| Complexity | 770.35376 |
Chemical Identifiers
| CAS Number | 25015-96-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=CC=CC=C3S2 |
Product Overview
2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one (CAS 25015-96-7), with molecular formula C18H16O4S and molecular weight 328.08 g/mol. IUPAC: 2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one
Property Insights of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one
The XLogP value of 4.0419 indicates that 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one 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 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one?
The CAS number of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one is 25015-96-7.
What is the molecular formula of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one?
The molecular formula of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one is C18H16O4S.
What is the molecular weight of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one?
The molecular weight of 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one is 328.08 g/mol.
Where can I buy 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one?
You can request a quote for 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-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-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4,5-Trimethoxyphenyl)methylene]benzo[b]thiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.