TOTO 3
TL;DR: TOTO 3 (CAS 166196-17-4) is a chemical compound with molecular formula C53H58I4N6S2 and molecular weight 1350.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-dimethylazaniumylidene-7-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-1-[2-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethyl]heptylidene]-dimethylazanium tetraiodide
Also Known As: TOTO 3, [7-dimethylazaniumylidene-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium;tetraiodide, [7-dimethylazaniumylidene-1-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-9-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium tetraiodide, 1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl)quinolinium) tetraiodide, Quinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl)-, tetraiodide
| Molecular Formula | C53H58I4N6S2 |
|---|---|
| Molecular Weight | 1350.03 g/mol |
| LogP | -1.1457 |
| Topological Polar Surface Area | 20.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 1350.0343 |
| Heavy Atoms | 65 |
| Complexity | 2600.363 |
Chemical Identifiers
| CAS Number | 166196-17-4 |
|---|---|
| SMILES | CN\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCC(=[N+](C)C)CCCC(=[N+](C)C)CC[N+]5=CC=C(C6=CC=CC=C65)/C=C/C=C\7/N(C8=CC=CC=C8S7)C.[I-].[I-].[I-].[I-] |
Product Overview
TOTO 3 (CAS 166196-17-4), with molecular formula C53H58I4N6S2 and molecular weight 1350.03 g/mol. IUPAC: [5-dimethylazaniumylidene-7-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]-1-[2-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethyl]heptylidene]-dimethylazanium tetraiodide.
Chemical Property Profile of TOTO 3
Property Insights of TOTO 3
The XLogP value of -1.1457 indicates that TOTO 3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.26 Ų, TOTO 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TOTO 3 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TOTO 3?
The CAS number of TOTO 3 is 166196-17-4.
What is the molecular formula of TOTO 3?
The molecular formula of TOTO 3 is C53H58I4N6S2.
What is the molecular weight of TOTO 3?
The molecular weight of TOTO 3 is 1350.03 g/mol.
Where can I buy TOTO 3?
You can request a quote for TOTO 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOTO 3?
Yes, KEHONG BIO provides custom synthesis services for TOTO 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.