![3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one structure](/static/products/805/80554-37-6.png)
3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
TL;DR: 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one (CAS 80554-37-6) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one, 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one, 3-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-4H-chromen-4-one, 3-[(E)-1,3-benzodioxol-5-ylmethylidene]-2,3-dihydro-4H-chromen-4-one
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.074 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 761.13544 |
Chemical Identifiers
| CAS Number | 80554-37-6 |
|---|---|
| SMILES | C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4O1 |
Product Overview
3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one (CAS 80554-37-6), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one.
Chemical Property Profile of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
Property Insights of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
The XLogP value of 3.074 indicates that 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-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, 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-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 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The CAS number of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is 80554-37-6.
What is the molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is C17H12O4.
What is the molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is 280.07 g/mol.
Where can I buy 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
You can request a quote for 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.