Ethanone, 1-(4-butoxyphenyl)-
TL;DR: Ethanone, 1-(4-butoxyphenyl)- (CAS 5736-89-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)ethanone
Also Known As: 1-(4-Butoxyphenyl)ethanone, 4'-Butoxyacetophenone, 4-Butoxyacetophenone, p-Butoxyacetophenone, 1-(4-Butoxyphenyl)ethan-1-one
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5736-89-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)C |
| InChIKey | YYLCJWIQUFHYMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-butoxyphenyl)- (CAS 5736-89-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 1-(4-butoxyphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-butoxyphenyl)-
Property Insights of Ethanone, 1-(4-butoxyphenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-butoxyphenyl)-. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanone, 1-(4-butoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-butoxyphenyl)- has 0 hydrogen bond donor(s) and 2 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-(4-butoxyphenyl)-?
The CAS number of Ethanone, 1-(4-butoxyphenyl)- is 5736-89-0.
What is the molecular formula of Ethanone, 1-(4-butoxyphenyl)-?
The molecular formula of Ethanone, 1-(4-butoxyphenyl)- is C12H16O2.
What is the molecular weight of Ethanone, 1-(4-butoxyphenyl)-?
The molecular weight of Ethanone, 1-(4-butoxyphenyl)- is 192.12 g/mol.
Where can I buy Ethanone, 1-(4-butoxyphenyl)-?
You can request a quote for Ethanone, 1-(4-butoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-butoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-butoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.