1-芘-1-基乙基磺酸氢酯
TL;DR: 1-芘-1-基乙基磺酸氢酯 (CAS 132769-78-9) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-芘-1-基乙基磺酸氢酯
1-pyren-1-ylethyl hydrogen sulfate
Also Known As: 1-(1-Pyrenyl)ethanolsulfate, 1-(1-sulfooxyethyl)pyrene, 1-Pyren-1-ylethyl hydrogen sulfate, 1-(Pyren-1-yl)ethyl hydrogen sulfate
| Molecular Formula | C18H14O4S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.06128 |
| Heavy Atoms | 23 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 132769-78-9 |
|---|---|
| SMILES | CC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OS(=O)(=O)O |
| InChIKey | RKSXMHNLGDICSW-UHFFFAOYSA-N |
Product Overview
1-芘-1-基乙基磺酸氢酯 (CAS 132769-78-9), with molecular formula C18H14O4S and molecular weight 326.06 g/mol. IUPAC: 1-pyren-1-ylethyl hydrogen sulfate.
Chemical Property Profile of 1-芘-1-基乙基磺酸氢酯
Property Insights of 1-芘-1-基乙基磺酸氢酯
The XLogP value of 4.2 indicates that 1-芘-1-基乙基磺酸氢酯 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-芘-1-基乙基磺酸氢酯. Following Lipinski's Rule of Five, 1-芘-1-基乙基磺酸氢酯 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
Frequently Asked Questions
What is the CAS number of 1-芘-1-基乙基磺酸氢酯?
The CAS number of 1-芘-1-基乙基磺酸氢酯 is 132769-78-9.
What is the molecular formula of 1-芘-1-基乙基磺酸氢酯?
The molecular formula of 1-芘-1-基乙基磺酸氢酯 is C18H14O4S.
What is the molecular weight of 1-芘-1-基乙基磺酸氢酯?
The molecular weight of 1-芘-1-基乙基磺酸氢酯 is 326.06 g/mol.
Where can I buy 1-芘-1-基乙基磺酸氢酯?
You can request a quote for 1-芘-1-基乙基磺酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-芘-1-基乙基磺酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 1-芘-1-基乙基磺酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.