![4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid structure](/static/products/6780/67805-97-4.webp)
4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
TL;DR: 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid (CAS 67805-97-4) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
Also Known As: 4-(Benzo[d][1,4,5-trimethoxybenzyl)butanoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)me, 4-(2H-1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 67805-97-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O |
| InChIKey | PAJSYZWOIGQAEI-UHFFFAOYSA-N |
Product Overview
4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid (CAS 67805-97-4), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
Property Insights of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]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
Frequently Asked Questions
What is the CAS number of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid?
The CAS number of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid is 67805-97-4.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid is C21H22O8.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid is 402.13 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.