Thioflavin T benzoate
TL;DR: Thioflavin T benzoate (CAS 68310-89-4) is a chemical compound with molecular formula C24H24N2O2S and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline benzoate
Also Known As: Thioflavin T benzoate, BASIC YELLOW 1 BENZOATE, PIGMENT YELLOW 18 BENZOATE, C.I. Pigment Yellow 18 (fugitive), benzoic acid salt, Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate
| Molecular Formula | C24H24N2O2S |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 3.82 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.15585 |
| Heavy Atoms | 29 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 68310-89-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | YLNRZMQISIVORD-UHFFFAOYSA-M |
Product Overview
Thioflavin T benzoate (CAS 68310-89-4), with molecular formula C24H24N2O2S and molecular weight 404.16 g/mol. IUPAC: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline benzoate.
Chemical Property Profile of Thioflavin T benzoate
Property Insights of Thioflavin T benzoate
The XLogP value of 3.82 indicates that Thioflavin T benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioflavin T benzoate. Following Lipinski's Rule of Five, Thioflavin T benzoate 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 Thioflavin T benzoate?
The CAS number of Thioflavin T benzoate is 68310-89-4.
What is the molecular formula of Thioflavin T benzoate?
The molecular formula of Thioflavin T benzoate is C24H24N2O2S.
What is the molecular weight of Thioflavin T benzoate?
The molecular weight of Thioflavin T benzoate is 404.16 g/mol.
Where can I buy Thioflavin T benzoate?
You can request a quote for Thioflavin T benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioflavin T benzoate?
Yes, KEHONG BIO provides custom synthesis services for Thioflavin T benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.