CTK0I0711
TL;DR: CTK0I0711 (CAS 15086-20-1) is a chemical compound with molecular formula C29H30N2O3S3 and molecular weight 550.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;4-methylbenzenesulfonate
Also Known As: 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium p-toluenesulphonate
| Molecular Formula | C29H30N2O3S3 |
|---|---|
| Molecular Weight | 550.14 g/mol |
| LogP | 6.98472 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.14185 |
| Heavy Atoms | 37 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 15086-20-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | PVRZIWDHDSZPFF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK0I0711 (CAS 15086-20-1), with molecular formula C29H30N2O3S3 and molecular weight 550.14 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;4-methylbenzenesulfonate.
Chemical Property Profile of CTK0I0711
Property Insights of CTK0I0711
The XLogP value of 6.98472 indicates that CTK0I0711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK0I0711. Following Lipinski's Rule of Five, CTK0I0711 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK0I0711?
The CAS number of CTK0I0711 is 15086-20-1.
What is the molecular formula of CTK0I0711?
The molecular formula of CTK0I0711 is C29H30N2O3S3.
What is the molecular weight of CTK0I0711?
The molecular weight of CTK0I0711 is 550.14 g/mol.
Where can I buy CTK0I0711?
You can request a quote for CTK0I0711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0I0711?
Yes, KEHONG BIO provides custom synthesis services for CTK0I0711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.