1-(3,4-Diethoxyphenyl)ethan-1-one
TL;DR: 1-(3,4-Diethoxyphenyl)ethan-1-one (CAS 946664-06-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-diethoxyphenyl)ethanone
Also Known As: 1-(3,4-diethoxyphenyl)ethanone, cis-Nerolidol, 1-(3,4-diethoxyphenyl)ethan-1-one, 3',4'-Diethoxyacetophenone, Ethanone, 1-(3,4-diethoxyphenyl)-
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 946664-06-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)C)OCC |
| InChIKey | GYFUKZCPECCHTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Diethoxyphenyl)ethan-1-one (CAS 946664-06-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1-(3,4-diethoxyphenyl)ethanone.
Chemical Property Profile of 1-(3,4-Diethoxyphenyl)ethan-1-one
Property Insights of 1-(3,4-Diethoxyphenyl)ethan-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Diethoxyphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3,4-Diethoxyphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Diethoxyphenyl)ethan-1-one has 0 hydrogen bond donor(s) and 3 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-Diethoxyphenyl)ethan-1-one?
The CAS number of 1-(3,4-Diethoxyphenyl)ethan-1-one is 946664-06-8.
What is the molecular formula of 1-(3,4-Diethoxyphenyl)ethan-1-one?
The molecular formula of 1-(3,4-Diethoxyphenyl)ethan-1-one is C12H16O3.
What is the molecular weight of 1-(3,4-Diethoxyphenyl)ethan-1-one?
The molecular weight of 1-(3,4-Diethoxyphenyl)ethan-1-one is 208.11 g/mol.
Where can I buy 1-(3,4-Diethoxyphenyl)ethan-1-one?
You can request a quote for 1-(3,4-Diethoxyphenyl)ethan-1-one 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-Diethoxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Diethoxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.