CTK9A0831
TL;DR: CTK9A0831 (CAS 68516-62-1) is a chemical compound with molecular formula C15H8K2O7S3 and molecular weight 473.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate
Also Known As: Benzo[b]thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-[(4-sulfophenyl)methylene]-, dipotassium salt, 2,3-Dihydro-3-oxo-2-(4-sulfobenzylidene)benzo(b)thiophene-6-sulfonic acid, dipotassium salt, Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, dipotassium salt, Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, potassium salt (1:2), Dipotassium 2,3-dihydro-3-oxo-2-[(4-sulphonatophenyl)methylene]benzo[b]thiophene-6-sulphonate
| Molecular Formula | C15H8K2O7S3 |
|---|---|
| Molecular Weight | 473.87 g/mol |
| LogP | -4.17 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 473.87064 |
| Heavy Atoms | 27 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 68516-62-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)C3=C(S2)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+] |
| InChIKey | AKEVPEHQJIEXSL-UHFFFAOYSA-L |
Product Overview
CTK9A0831 (CAS 68516-62-1), with molecular formula C15H8K2O7S3 and molecular weight 473.87 g/mol. IUPAC: dipotassium;3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate.
Chemical Property Profile of CTK9A0831
Property Insights of CTK9A0831
The XLogP value of -4.17 indicates that CTK9A0831 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting CTK9A0831 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK9A0831 has 0 hydrogen bond donor(s) and 8 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 CTK9A0831?
The CAS number of CTK9A0831 is 68516-62-1.
What is the molecular formula of CTK9A0831?
The molecular formula of CTK9A0831 is C15H8K2O7S3.
What is the molecular weight of CTK9A0831?
The molecular weight of CTK9A0831 is 473.87 g/mol.
Where can I buy CTK9A0831?
You can request a quote for CTK9A0831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A0831?
Yes, KEHONG BIO provides custom synthesis services for CTK9A0831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.