CTK9A0833
TL;DR: CTK9A0833 (CAS 68516-66-5) is a chemical compound with molecular formula C28H32N2O5S3 and molecular weight 572.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one;4-methylbenzenesulfonate
Also Known As: Thiazolidinium, 5-[(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene]-3-ethyl-3-methyl-4-oxo-2-thioxo-, salt with 4-methylbenzenesulfonic acid (1:1), 5-[2-(6-Ethoxy-1-ethylquinolin-2(1H)-ylidene)ethylidene]-3-ethyl-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ium 4-methylbenzene-1-sulfonate, Thiazolidinium, 5-[2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene]-3-ethyl-3-methyl-4-oxo-2-thioxo-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C28H32N2O5S3 |
|---|---|
| Molecular Weight | 572.15 g/mol |
| LogP | 5.63012 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 572.14734 |
| Heavy Atoms | 38 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 68516-66-5 |
|---|---|
| SMILES | CCN1C(=CC=C2C(=O)[N+](C(=S)S2)(C)CC)C=CC3=C1C=CC(=C3)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | JTKUVXFPQBFUHL-UHFFFAOYSA-M |
Product Overview
CTK9A0833 (CAS 68516-66-5), with molecular formula C28H32N2O5S3 and molecular weight 572.15 g/mol. IUPAC: 5-[2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one;4-methylbenzenesulfonate.
Chemical Property Profile of CTK9A0833
Property Insights of CTK9A0833
The XLogP value of 5.63012 indicates that CTK9A0833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting CTK9A0833 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK9A0833 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK9A0833?
The CAS number of CTK9A0833 is 68516-66-5.
What is the molecular formula of CTK9A0833?
The molecular formula of CTK9A0833 is C28H32N2O5S3.
What is the molecular weight of CTK9A0833?
The molecular weight of CTK9A0833 is 572.15 g/mol.
Where can I buy CTK9A0833?
You can request a quote for CTK9A0833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A0833?
Yes, KEHONG BIO provides custom synthesis services for CTK9A0833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.