1-Pyrenylsulfate
TL;DR: 1-Pyrenylsulfate (CAS 154717-06-3) is a chemical compound with molecular formula C16H10O4S and molecular weight 298.02997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyren-1-yl hydrogen sulfate
Also Known As: 1-Pyrenylsulfate, 1-sulfooxypyrene, pyrene-1-sulfate, Pyrene 1-sulfate, Pyren-1-ylsulfate
Technical Specifications
| Molecular Formula | C16H10O4S |
| Molecular Weight | 298.02997 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.02997 Da |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)OS(=O)(=O)O |
| InChIKey | PPWRGGIIPLXGJL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyrenylsulfate
Property Insights of 1-Pyrenylsulfate
The XLogP value of 4.1 indicates that 1-Pyrenylsulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrenylsulfate. Following Lipinski's Rule of Five, 1-Pyrenylsulfate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Pyrenylsulfate?
The CAS number of 1-Pyrenylsulfate is 154717-06-3.
What is the molecular formula of 1-Pyrenylsulfate?
The molecular formula of 1-Pyrenylsulfate is C16H10O4S.
What is the molecular weight of 1-Pyrenylsulfate?
The molecular weight of 1-Pyrenylsulfate is 298.02997 g/mol.
Where can I buy 1-Pyrenylsulfate?
You can request a quote for 1-Pyrenylsulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyrenylsulfate?
Yes, CoreyChem provides custom synthesis services for 1-Pyrenylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.