4-Isopropylacetophenone
TL;DR: 4-Isopropylacetophenone (CAS 645-13-6) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)ethanone
Also Known As: 4'-Isopropylacetophenone, Cuminone, 4-ISOPROPYLACETOPHENONE, p-Isopropylacetophenone, 1-(4-Isopropylphenyl)ethanone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| Boiling Point | 252.00 to 254.00 °C. @ 760.00 mm Hg |
| Density | 0.967-0.975 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.520-1.527 |
Chemical Identifiers
| CAS Number | 645-13-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)C |
| InChIKey | PDLCCNYKIIUWHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylacetophenone (CAS 645-13-6), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)ethanone.
Chemical Property Profile of 4-Isopropylacetophenone
Property Insights of 4-Isopropylacetophenone
The XLogP value of 3.0 indicates that 4-Isopropylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Isopropylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylacetophenone 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 4-Isopropylacetophenone?
The CAS number of 4-Isopropylacetophenone is 645-13-6.
What is the molecular formula of 4-Isopropylacetophenone?
The molecular formula of 4-Isopropylacetophenone is C11H14O.
What is the molecular weight of 4-Isopropylacetophenone?
The molecular weight of 4-Isopropylacetophenone is 162.10 g/mol.
Where can I buy 4-Isopropylacetophenone?
You can request a quote for 4-Isopropylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.