1-Pyren-2-ylethyl hydrogen sulfate
TL;DR: 1-Pyren-2-ylethyl hydrogen sulfate (CAS 132769-79-0) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-pyren-2-ylethyl hydrogen sulfate
Also Known As: 1-(2-Pyrenyl)ethanolsulfate, 1-Pyren-2-ylethyl hydrogen sulfate, 2-(1-sulfooxyethyl)pyrene, 1-(Pyren-2-yl)ethyl hydrogen sulfate
Technical Specifications
| Molecular Formula | C18H14O4S |
| Molecular Weight | 326.06128 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.06128 Da |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
| SMILES | CC(C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)OS(=O)(=O)O |
| InChIKey | NQRLPQWILRSFNS-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyren-2-ylethyl hydrogen sulfate
Property Insights of 1-Pyren-2-ylethyl hydrogen sulfate
The XLogP value of 4.2 indicates that 1-Pyren-2-ylethyl hydrogen sulfate 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-Pyren-2-ylethyl hydrogen sulfate. Following Lipinski's Rule of Five, 1-Pyren-2-ylethyl hydrogen sulfate 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-Pyren-2-ylethyl hydrogen sulfate?
The CAS number of 1-Pyren-2-ylethyl hydrogen sulfate is 132769-79-0.
What is the molecular formula of 1-Pyren-2-ylethyl hydrogen sulfate?
The molecular formula of 1-Pyren-2-ylethyl hydrogen sulfate is C18H14O4S.
What is the molecular weight of 1-Pyren-2-ylethyl hydrogen sulfate?
The molecular weight of 1-Pyren-2-ylethyl hydrogen sulfate is 326.06128 g/mol.
Where can I buy 1-Pyren-2-ylethyl hydrogen sulfate?
You can request a quote for 1-Pyren-2-ylethyl hydrogen sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyren-2-ylethyl hydrogen sulfate?
Yes, CoreyChem provides custom synthesis services for 1-Pyren-2-ylethyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.