p-Cumenyl cyclopropyl ketone
TL;DR: p-Cumenyl cyclopropyl ketone (CAS 6952-91-6) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropyl-(4-propan-2-ylphenyl)methanone
Also Known As: p-Cumenyl cyclopropyl ketone, p-cumenylcyclopropylketone, cyclopropyl(4-isopropylphenyl)methanone, cyclopropyl-(4-propan-2-ylphenyl)methanone, cyclopropyl[4-(propan-2-yl)phenyl]methanone
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 6952-91-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)C2CC2 |
| InChIKey | CMKCTUAFZPHYTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cumenyl cyclopropyl ketone (CAS 6952-91-6), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: cyclopropyl-(4-propan-2-ylphenyl)methanone.
Chemical Property Profile of p-Cumenyl cyclopropyl ketone
Property Insights of p-Cumenyl cyclopropyl ketone
The XLogP value of 3.4 indicates that p-Cumenyl cyclopropyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, p-Cumenyl cyclopropyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cumenyl cyclopropyl ketone 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 p-Cumenyl cyclopropyl ketone?
The CAS number of p-Cumenyl cyclopropyl ketone is 6952-91-6.
What is the molecular formula of p-Cumenyl cyclopropyl ketone?
The molecular formula of p-Cumenyl cyclopropyl ketone is C13H16O.
What is the molecular weight of p-Cumenyl cyclopropyl ketone?
The molecular weight of p-Cumenyl cyclopropyl ketone is 188.12 g/mol.
Where can I buy p-Cumenyl cyclopropyl ketone?
You can request a quote for p-Cumenyl cyclopropyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cumenyl cyclopropyl ketone?
Yes, KEHONG BIO provides custom synthesis services for p-Cumenyl cyclopropyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.