![(Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one structure](/static/products/978/97871-91-5.png)
(Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one
TL;DR: (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one (CAS 97871-91-5) is a chemical compound with molecular formula C16H12OS and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2-methylphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: BAS 00795858, J2.665.251K, (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one, 2-(2-Methylbenzylidene)benzo[b]thiophene-3(2H)-one, (2Z)-2-(2-methylbenzylidene)-1-benzothiophen-3(2H)-one
| Molecular Formula | C16H12OS |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06088 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 97871-91-5 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=C\2/C(=O)C3=CC=CC=C3S2 |
| InChIKey | DIXZHKWHXDWLHK-GDNBJRDFSA-N |
Product Overview
(Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one (CAS 97871-91-5), with molecular formula C16H12OS and molecular weight 252.06 g/mol. IUPAC: (2Z)-2-[(2-methylphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one
Property Insights of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one
The XLogP value of 4.5 indicates that (Z)-2-(2-methylbenzylidene)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 42.4 Ų, (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one has 0 hydrogen bond donor(s) and 2 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 (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one?
The CAS number of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one is 97871-91-5.
What is the molecular formula of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular formula of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one is C16H12OS.
What is the molecular weight of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular weight of (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one is 252.06 g/mol.
Where can I buy (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one?
You can request a quote for (Z)-2-(2-methylbenzylidene)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 (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-methylbenzylidene)benzo[b]thiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.