4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid
TL;DR: 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid (CAS 105777-85-3) is a chemical compound with molecular formula C22H24O8 and molecular weight 416.14713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
Also Known As: 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid, 4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid, 4-(2H-1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
Technical Specifications
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.14713 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.14713 Da |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
| SMILES | CC(C(CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | OZTLVHLVDYEZNN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid
Property Insights of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid
The XLogP value of 3.3 indicates that 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid?
The CAS number of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid is 105777-85-3.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid is C22H24O8.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid is 416.14713 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.