1-Pyrenyloxirane
TL;DR: 1-Pyrenyloxirane (CAS 61695-74-7) is a chemical compound with molecular formula C18H12O and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyren-1-yloxirane
Also Known As: 1-Pyrenyloxirane, 1-Oxiranylpyrene, Oxirane, 1-pyrenyl-, 2-pyren-1-yloxirane, Pyrene, 1-epoxyethyl-
| Molecular Formula | C18H12O |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.08882 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 61695-74-7 |
|---|---|
| SMILES | C1C(O1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2 |
| InChIKey | SWMBSMJCJWZRNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrenyloxirane (CAS 61695-74-7), with molecular formula C18H12O and molecular weight 244.09 g/mol. IUPAC: 2-pyren-1-yloxirane.
Chemical Property Profile of 1-Pyrenyloxirane
Property Insights of 1-Pyrenyloxirane
The XLogP value of 4.5 indicates that 1-Pyrenyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 1-Pyrenyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenyloxirane has 0 hydrogen bond donor(s) and 1 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-Pyrenyloxirane?
The CAS number of 1-Pyrenyloxirane is 61695-74-7.
What is the molecular formula of 1-Pyrenyloxirane?
The molecular formula of 1-Pyrenyloxirane is C18H12O.
What is the molecular weight of 1-Pyrenyloxirane?
The molecular weight of 1-Pyrenyloxirane is 244.09 g/mol.
Where can I buy 1-Pyrenyloxirane?
You can request a quote for 1-Pyrenyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrenyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrenyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.