7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one
TL;DR: 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one (CAS 56751-03-2) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-7-methylocta-1,6-dien-3-one
Also Known As: 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one, 1-(3,4-methylenedioxyphenyl)-7-methyl-1,6-octadiene-3-one, OCTA-1,6-DIEN-3-ONE, 7-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 56751-03-2 |
|---|---|
| SMILES | CC(=CCCC(=O)C=CC1=CC2=C(C=C1)OCO2)C |
| InChIKey | GWNVGUGEDNXVMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one (CAS 56751-03-2), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-7-methylocta-1,6-dien-3-one.
Chemical Property Profile of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one
Property Insights of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one
The XLogP value of 4.1 indicates that 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-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 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one?
The CAS number of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one is 56751-03-2.
What is the molecular formula of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one?
The molecular formula of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one is C16H18O3.
What is the molecular weight of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one?
The molecular weight of 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one is 258.13 g/mol.
Where can I buy 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one?
You can request a quote for 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.