2-Pyren-4-ylcyclohexan-1-one
TL;DR: 2-Pyren-4-ylcyclohexan-1-one (CAS 111189-40-3) is a chemical compound with molecular formula C22H18O and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyren-4-ylcyclohexan-1-one
Also Known As: 2-pyren-4-ylcyclohexan-1-one, 2-(PYREN-4-YL)CYCLOHEXAN-1-ONE
| Molecular Formula | C22H18O |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.13577 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 111189-40-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4 |
| InChIKey | JEEJUDSQYDSNQK-UHFFFAOYSA-N |
Product Overview
2-Pyren-4-ylcyclohexan-1-one (CAS 111189-40-3), with molecular formula C22H18O and molecular weight 298.14 g/mol. IUPAC: 2-pyren-4-ylcyclohexan-1-one.
Chemical Property Profile of 2-Pyren-4-ylcyclohexan-1-one
Property Insights of 2-Pyren-4-ylcyclohexan-1-one
The XLogP value of 5.7 indicates that 2-Pyren-4-ylcyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pyren-4-ylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyren-4-ylcyclohexan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Pyren-4-ylcyclohexan-1-one?
The CAS number of 2-Pyren-4-ylcyclohexan-1-one is 111189-40-3.
What is the molecular formula of 2-Pyren-4-ylcyclohexan-1-one?
The molecular formula of 2-Pyren-4-ylcyclohexan-1-one is C22H18O.
What is the molecular weight of 2-Pyren-4-ylcyclohexan-1-one?
The molecular weight of 2-Pyren-4-ylcyclohexan-1-one is 298.14 g/mol.
Where can I buy 2-Pyren-4-ylcyclohexan-1-one?
You can request a quote for 2-Pyren-4-ylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyren-4-ylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyren-4-ylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.