Thioindigo Red B
TL;DR: Thioindigo Red B (CAS 3844-31-3) 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.
(2E)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Also Known As: Thioindigo, Isothioindigo, Thioindigo Red B, Thioindigo Red S, Durindone Red B
| Molecular Formula | C16H8O2S2 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 4.1752 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.99658 |
| Heavy Atoms | 20 |
| Complexity | 738.1291 |
Chemical Identifiers
| CAS Number | 3844-31-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C\3/C(=O)C4=CC=CC=C4S3)/S2 |
Product Overview
Thioindigo Red B (CAS 3844-31-3), with molecular formula C16H8O2S2 and molecular weight 296.00 g/mol. IUPAC: (2E)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one.
Chemical Property Profile of Thioindigo Red B
Property Insights of Thioindigo Red B
The XLogP value of 4.1752 indicates that Thioindigo Red B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Thioindigo Red B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioindigo Red B 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 Thioindigo Red B?
The CAS number of Thioindigo Red B is 3844-31-3.
What is the molecular formula of Thioindigo Red B?
The molecular formula of Thioindigo Red B is C16H8O2S2.
What is the molecular weight of Thioindigo Red B?
The molecular weight of Thioindigo Red B is 296.00 g/mol.
Where can I buy Thioindigo Red B?
You can request a quote for Thioindigo Red B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioindigo Red B?
Yes, KEHONG BIO provides custom synthesis services for Thioindigo Red B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.