Ethanone, 1-(3-butyl-4-methylphenyl)-
TL;DR: Ethanone, 1-(3-butyl-4-methylphenyl)- (CAS 67663-03-0) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butyl-4-methylphenyl)ethanone
Also Known As: 1-(3-Butyl-4-methylphenyl)ethanone, Ethanone, 1-(3-butyl-4-methylphenyl)-, 1-(3-Butyl-4-methylphenyl)ethan-1-one, 1-(3-butyl-4-methyl-chloroethanone, 3-butyl-4-methyl phenyl methyl ketone
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 67663-03-0 |
|---|---|
| SMILES | CCCCC1=C(C=CC(=C1)C(=O)C)C |
| InChIKey | POZXPCYPGRBKIL-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(3-butyl-4-methylphenyl)- (CAS 67663-03-0), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 1-(3-butyl-4-methylphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(3-butyl-4-methylphenyl)-
Property Insights of Ethanone, 1-(3-butyl-4-methylphenyl)-
The XLogP value of 3.9 indicates that Ethanone, 1-(3-butyl-4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-(3-butyl-4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(3-butyl-4-methylphenyl)- 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 Ethanone, 1-(3-butyl-4-methylphenyl)-?
The CAS number of Ethanone, 1-(3-butyl-4-methylphenyl)- is 67663-03-0.
What is the molecular formula of Ethanone, 1-(3-butyl-4-methylphenyl)-?
The molecular formula of Ethanone, 1-(3-butyl-4-methylphenyl)- is C13H18O.
What is the molecular weight of Ethanone, 1-(3-butyl-4-methylphenyl)-?
The molecular weight of Ethanone, 1-(3-butyl-4-methylphenyl)- is 190.14 g/mol.
Where can I buy Ethanone, 1-(3-butyl-4-methylphenyl)-?
You can request a quote for Ethanone, 1-(3-butyl-4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(3-butyl-4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(3-butyl-4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.