4-(p-ACETOXYPHENYL)-2-BUTANONE
TL;DR: 4-(p-ACETOXYPHENYL)-2-BUTANONE (CAS 3572-06-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxobutyl)phenyl] acetate
Also Known As: Cue-lure, 4-(3-Oxobutyl)phenyl acetate, Cuelure, Q-Lure, Pherocon QFF
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| Boiling Point | 123.00 to 124.00 °C. @ 0.20 mm Hg |
| Density | 1.096-1.100 |
| Solubility | insoluble in water; soluble in fat |
| Refractive Index | 1.506-1.512 |
Chemical Identifiers
| CAS Number | 3572-06-3 |
|---|---|
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC(=O)C |
| InChIKey | UMIKWXDGXDJQJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(p-ACETOXYPHENYL)-2-BUTANONE (CAS 3572-06-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: [4-(3-oxobutyl)phenyl] acetate.
Chemical Property Profile of 4-(p-ACETOXYPHENYL)-2-BUTANONE
Property Insights of 4-(p-ACETOXYPHENYL)-2-BUTANONE
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(p-ACETOXYPHENYL)-2-BUTANONE. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(p-ACETOXYPHENYL)-2-BUTANONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(p-ACETOXYPHENYL)-2-BUTANONE has 0 hydrogen bond donor(s) and 3 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-(p-ACETOXYPHENYL)-2-BUTANONE?
The CAS number of 4-(p-ACETOXYPHENYL)-2-BUTANONE is 3572-06-3.
What is the molecular formula of 4-(p-ACETOXYPHENYL)-2-BUTANONE?
The molecular formula of 4-(p-ACETOXYPHENYL)-2-BUTANONE is C12H14O3.
What is the molecular weight of 4-(p-ACETOXYPHENYL)-2-BUTANONE?
The molecular weight of 4-(p-ACETOXYPHENYL)-2-BUTANONE is 206.09 g/mol.
Where can I buy 4-(p-ACETOXYPHENYL)-2-BUTANONE?
You can request a quote for 4-(p-ACETOXYPHENYL)-2-BUTANONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(p-ACETOXYPHENYL)-2-BUTANONE?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-ACETOXYPHENYL)-2-BUTANONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.