1-Pyren-1-ylpropan-1-one
TL;DR: 1-Pyren-1-ylpropan-1-one (CAS 500004-32-0) is a chemical compound with molecular formula C19H14O and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyren-1-ylpropan-1-one
Also Known As: 1-Propionylpyrene, 1-pyren-1-ylpropan-1-one, 1-(pyren-1-yl)propan-1-one, 1-Propanone,1-(1-pyrenyl)-, KST-1B7836
| Molecular Formula | C19H14O |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10446 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 500004-32-0 |
|---|---|
| SMILES | CCC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | COIWAOXGROSMQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyren-1-ylpropan-1-one (CAS 500004-32-0), with molecular formula C19H14O and molecular weight 258.10 g/mol. IUPAC: 1-pyren-1-ylpropan-1-one.
Chemical Property Profile of 1-Pyren-1-ylpropan-1-one
Property Insights of 1-Pyren-1-ylpropan-1-one
The XLogP value of 5.2 indicates that 1-Pyren-1-ylpropan-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, 1-Pyren-1-ylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyren-1-ylpropan-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 1-Pyren-1-ylpropan-1-one?
The CAS number of 1-Pyren-1-ylpropan-1-one is 500004-32-0.
What is the molecular formula of 1-Pyren-1-ylpropan-1-one?
The molecular formula of 1-Pyren-1-ylpropan-1-one is C19H14O.
What is the molecular weight of 1-Pyren-1-ylpropan-1-one?
The molecular weight of 1-Pyren-1-ylpropan-1-one is 258.10 g/mol.
Where can I buy 1-Pyren-1-ylpropan-1-one?
You can request a quote for 1-Pyren-1-ylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyren-1-ylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyren-1-ylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.