1-(3,4,5-Trimethoxyphenyl)-1-propanone
TL;DR: 1-(3,4,5-Trimethoxyphenyl)-1-propanone (CAS 5658-50-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxyphenyl)propan-1-one
Also Known As: 1-(3,4,5-trimethoxyphenyl)propan-1-one, 3,4,5-Trimethoxypropiophenone, Propiophenone, 3',4',5'-trimethoxy-, 1-(3,4,5-trimethoxyphenyl)-1-propanone, 1-(3,4,5-Trimethoxyphenyl)-1-propanon
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5658-50-4 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | FNFSOYGIQWSIEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4,5-Trimethoxyphenyl)-1-propanone (CAS 5658-50-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 1-(3,4,5-trimethoxyphenyl)propan-1-one.
Chemical Property Profile of 1-(3,4,5-Trimethoxyphenyl)-1-propanone
Property Insights of 1-(3,4,5-Trimethoxyphenyl)-1-propanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-Trimethoxyphenyl)-1-propanone. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(3,4,5-Trimethoxyphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxyphenyl)-1-propanone has 0 hydrogen bond donor(s) and 4 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-(3,4,5-Trimethoxyphenyl)-1-propanone?
The CAS number of 1-(3,4,5-Trimethoxyphenyl)-1-propanone is 5658-50-4.
What is the molecular formula of 1-(3,4,5-Trimethoxyphenyl)-1-propanone?
The molecular formula of 1-(3,4,5-Trimethoxyphenyl)-1-propanone is C12H16O4.
What is the molecular weight of 1-(3,4,5-Trimethoxyphenyl)-1-propanone?
The molecular weight of 1-(3,4,5-Trimethoxyphenyl)-1-propanone is 224.10 g/mol.
Where can I buy 1-(3,4,5-Trimethoxyphenyl)-1-propanone?
You can request a quote for 1-(3,4,5-Trimethoxyphenyl)-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-(3,4,5-Trimethoxyphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxyphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.