6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one
TL;DR: 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one (CAS 100044-70-0) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-6-[(4-methoxyphenyl)methylidene]-1,3-benzodioxol-5-one
Also Known As: OBTUSAQUINONE DERIV JURD 2351, 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one, (6E)-6-[(4-methoxyphenyl)methylidene]-1,3-benzodioxol-5-one, (6E)-6-[(4-methoxyphenyl)-methylene]-1,3-benzodioxol-5-one, (6E)-6-[(4-methoxyphenyl)methylene]-1,3-benzodioxol-5-one
Technical Specifications
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.07355 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07355 Da |
| Heavy Atoms | 19 |
| Complexity | 465.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/2\C=C3C(=CC2=O)OCO3 |
| InChIKey | UADKVXWZBKNDON-IZZDOVSWSA-N |
Chemical Property Profile of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one
Property Insights of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one. With a topological polar surface area (TPSA) of 44.8 Ų, 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-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
What is the CAS number of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one?
The CAS number of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one is 100044-70-0.
What is the molecular formula of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one?
The molecular formula of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one is C15H12O4.
What is the molecular weight of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one?
The molecular weight of 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one is 256.07355 g/mol.
Where can I buy 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one?
You can request a quote for 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one?
Yes, CoreyChem provides custom synthesis services for 6-(4-Methoxybenzylidene)-1,3-benzodioxol-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.