Cyclobutyl 4-methylphenyl ketone
TL;DR: Cyclobutyl 4-methylphenyl ketone (CAS 53342-39-5) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclobutyl-(4-methylphenyl)methanone
Also Known As: CYCLOBUTYL 4-METHYLPHENYL KETONE, cyclobutyl(p-tolyl)methanone, cyclobutyl(4-methylphenyl)methanone, Cyclobutyl p-tolyl ketone, cyclobutyl-(4-methylphenyl)methanone
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 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 | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 53342-39-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2CCC2 |
| InChIKey | WLMXFDVNBWUEOP-UHFFFAOYSA-N |
Product Overview
Cyclobutyl 4-methylphenyl ketone (CAS 53342-39-5), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: cyclobutyl-(4-methylphenyl)methanone.
Chemical Property Profile of Cyclobutyl 4-methylphenyl ketone
Property Insights of Cyclobutyl 4-methylphenyl ketone
The XLogP value of 3.0 indicates that Cyclobutyl 4-methylphenyl 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, Cyclobutyl 4-methylphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutyl 4-methylphenyl 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 Cyclobutyl 4-methylphenyl ketone?
The CAS number of Cyclobutyl 4-methylphenyl ketone is 53342-39-5.
What is the molecular formula of Cyclobutyl 4-methylphenyl ketone?
The molecular formula of Cyclobutyl 4-methylphenyl ketone is C12H14O.
What is the molecular weight of Cyclobutyl 4-methylphenyl ketone?
The molecular weight of Cyclobutyl 4-methylphenyl ketone is 174.10 g/mol.
Where can I buy Cyclobutyl 4-methylphenyl ketone?
You can request a quote for Cyclobutyl 4-methylphenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutyl 4-methylphenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutyl 4-methylphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.