1-(4-Propoxyphenyl)-1-propanone
TL;DR: 1-(4-Propoxyphenyl)-1-propanone (CAS 5736-93-6) 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-propoxyphenyl)propan-1-one
Also Known As: 1-(4-propoxyphenyl)propan-1-one, 4'-Propoxypropiophenone, Propiophenone, 4'-propoxy-, 4 -Propoxypropiophenone, 1-(4-Propoxyphenyl)-1-propanone
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| 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 | 5736-93-6 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)CC |
| InChIKey | WRMLGNJEOPKSSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Propoxyphenyl)-1-propanone (CAS 5736-93-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 1-(4-propoxyphenyl)propan-1-one.
Chemical Property Profile of 1-(4-Propoxyphenyl)-1-propanone
Property Insights of 1-(4-Propoxyphenyl)-1-propanone
The XLogP value of 3.3 indicates that 1-(4-Propoxyphenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-Propoxyphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Propoxyphenyl)-1-propanone 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 1-(4-Propoxyphenyl)-1-propanone?
The CAS number of 1-(4-Propoxyphenyl)-1-propanone is 5736-93-6.
What is the molecular formula of 1-(4-Propoxyphenyl)-1-propanone?
The molecular formula of 1-(4-Propoxyphenyl)-1-propanone is C12H16O2.
What is the molecular weight of 1-(4-Propoxyphenyl)-1-propanone?
The molecular weight of 1-(4-Propoxyphenyl)-1-propanone is 192.12 g/mol.
Where can I buy 1-(4-Propoxyphenyl)-1-propanone?
You can request a quote for 1-(4-Propoxyphenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Propoxyphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Propoxyphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.