1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan
TL;DR: 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan (CAS 67920-48-3) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Also Known As: 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan, (2S)-2ALPHA-(1,3-BENZODIOXOLE-5-YL)-3BETA-METHYL-5ALPHA-METHOXY-5-ALLYL-2,3,5,6-TETRAHYDROBENZOFURAN-6-ONE, 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one, 5-Allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3,5-dihydro-1-benzofuran-6(2H)-one, (2S,3S,5R)-5-allyl-2-(benzo[d][1,3]dioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6(5H)-one
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 67920-48-3 |
|---|---|
| SMILES | CC1C(OC2=CC(=O)C(C=C12)(CC=C)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | HCKMSYACKQLOPY-UHFFFAOYSA-N |
Product Overview
1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan (CAS 67920-48-3), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one.
Chemical Property Profile of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan
Property Insights of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan. With a topological polar surface area (TPSA) of 54.0 Ų, 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan has 0 hydrogen bond donor(s) and 5 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 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan?
The CAS number of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan is 67920-48-3.
What is the molecular formula of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan?
The molecular formula of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan is C20H20O5.
What is the molecular weight of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan?
The molecular weight of 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan is 340.13 g/mol.
Where can I buy 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan?
You can request a quote for 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.