1,3,6-Trisulfonylpyrene 8-isothiocyanate
TL;DR: 1,3,6-Trisulfonylpyrene 8-isothiocyanate (CAS 64657-24-5) is a chemical compound with molecular formula C17H9NO9S4 and molecular weight 498.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-isothiocyanatopyrene-1,3,6-trisulfonic acid
Also Known As: 1,3,6-Tspi, 1,3,6-Trisulfonylpyrene 8-isothiocyanate, 8-isothiocyanatopyrene-1,3,6-trisulfonic acid, 1,3,6-trisulfonylpyrene8-isothiocyanate, 1,3,6-Pyrenetrisulfonic acid, 8-isothiocyanato-
| Molecular Formula | C17H9NO9S4 |
|---|---|
| Molecular Weight | 498.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.91602 |
| Heavy Atoms | 31 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 64657-24-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)N=C=S)S(=O)(=O)O |
| InChIKey | HVTTVIRJVMCXFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,6-Trisulfonylpyrene 8-isothiocyanate (CAS 64657-24-5), with molecular formula C17H9NO9S4 and molecular weight 498.92 g/mol. IUPAC: 8-isothiocyanatopyrene-1,3,6-trisulfonic acid.
Chemical Property Profile of 1,3,6-Trisulfonylpyrene 8-isothiocyanate
Property Insights of 1,3,6-Trisulfonylpyrene 8-isothiocyanate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6-Trisulfonylpyrene 8-isothiocyanate. The TPSA of 233.0 Ų indicates high polarity, suggesting 1,3,6-Trisulfonylpyrene 8-isothiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,6-Trisulfonylpyrene 8-isothiocyanate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,6-Trisulfonylpyrene 8-isothiocyanate?
The CAS number of 1,3,6-Trisulfonylpyrene 8-isothiocyanate is 64657-24-5.
What is the molecular formula of 1,3,6-Trisulfonylpyrene 8-isothiocyanate?
The molecular formula of 1,3,6-Trisulfonylpyrene 8-isothiocyanate is C17H9NO9S4.
What is the molecular weight of 1,3,6-Trisulfonylpyrene 8-isothiocyanate?
The molecular weight of 1,3,6-Trisulfonylpyrene 8-isothiocyanate is 498.92 g/mol.
Where can I buy 1,3,6-Trisulfonylpyrene 8-isothiocyanate?
You can request a quote for 1,3,6-Trisulfonylpyrene 8-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-Trisulfonylpyrene 8-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Trisulfonylpyrene 8-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.