(1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one
TL;DR: (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one (CAS 66596-38-1) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-methyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
Also Known As: 5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one, 1-Hexen-3-one, 5-methyl-1-(3,4,5-trimethoxyphenyl)-, (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one, (E)-5-methyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one, (1E)-5-METHYL-1-(3,4,5-TRIMETHOXYPHENYL)HEX-1-EN-3-ONE
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.3408 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 464.2454 |
Chemical Identifiers
| CAS Number | 66596-38-1 |
|---|---|
| SMILES | CC(C)CC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
(1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one (CAS 66596-38-1), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: (E)-5-methyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one.
Chemical Property Profile of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one
Property Insights of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one
The XLogP value of 3.3408 indicates that (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one 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 (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one?
The CAS number of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one is 66596-38-1.
What is the molecular formula of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one?
The molecular formula of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one is C16H22O4.
What is the molecular weight of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one?
The molecular weight of (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one is 278.15 g/mol.
Where can I buy (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one?
You can request a quote for (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1E)-5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.