2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
TL;DR: 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one (CAS 522-75-8) is a chemical compound with molecular formula C16H8O2S2 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Also Known As: Thioindigo, Isothioindigo, Durindone Red B, Antinolo Red B, Helindon Red BB
| Molecular Formula | C16H8O2S2 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.99658 |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 522-75-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4S3)S2 |
| InChIKey | JOUDBUYBGJYFFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one (CAS 522-75-8), with molecular formula C16H8O2S2 and molecular weight 296.00 g/mol. IUPAC: 2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one.
Chemical Property Profile of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Property Insights of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
The XLogP value of 4.1 indicates that 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one. Following Lipinski's Rule of Five, 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one has 0 hydrogen bond donor(s) and 4 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-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one?
The CAS number of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one is 522-75-8.
What is the molecular formula of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one?
The molecular formula of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one is C16H8O2S2.
What is the molecular weight of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one?
The molecular weight of 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one is 296.00 g/mol.
Where can I buy 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one?
You can request a quote for 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-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-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.