Pyren-1-yl Acetate
TL;DR: Pyren-1-yl Acetate (CAS 78751-40-3) is a chemical compound with molecular formula C18H12O2 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyren-1-yl acetate
Also Known As: Pyren-1-yl Acetate, 1-Acetoxypyrene, 1-Pyrenol Acetate, 1-Pyrenol,1-acetate, Pyren-1-ylAcetate
| Molecular Formula | C18H12O2 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.08374 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 78751-40-3 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | XMAPHCGFUPXIEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyren-1-yl Acetate (CAS 78751-40-3), with molecular formula C18H12O2 and molecular weight 260.08 g/mol. IUPAC: pyren-1-yl acetate.
Chemical Property Profile of Pyren-1-yl Acetate
Property Insights of Pyren-1-yl Acetate
The XLogP value of 4.6 indicates that Pyren-1-yl Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pyren-1-yl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyren-1-yl Acetate has 0 hydrogen bond donor(s) and 2 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 Pyren-1-yl Acetate?
The CAS number of Pyren-1-yl Acetate is 78751-40-3.
What is the molecular formula of Pyren-1-yl Acetate?
The molecular formula of Pyren-1-yl Acetate is C18H12O2.
What is the molecular weight of Pyren-1-yl Acetate?
The molecular weight of Pyren-1-yl Acetate is 260.08 g/mol.
Where can I buy Pyren-1-yl Acetate?
You can request a quote for Pyren-1-yl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyren-1-yl Acetate?
Yes, KEHONG BIO provides custom synthesis services for Pyren-1-yl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.