6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid
TL;DR: 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid (CAS 7470-99-7) is a chemical compound with molecular formula C18H16O8 and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid
Also Known As: 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid, 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic ac, 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid
| Molecular Formula | C18H16O8 |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.0845 |
| Heavy Atoms | 26 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 7470-99-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2C(=O)O)OCO3 |
| InChIKey | NKIVYOORVNTNOY-UHFFFAOYSA-N |
Product Overview
6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid (CAS 7470-99-7), with molecular formula C18H16O8 and molecular weight 360.08 g/mol. IUPAC: 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid
Property Insights of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid. Following Lipinski's Rule of Five, 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic 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 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid?
The CAS number of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid is 7470-99-7.
What is the molecular formula of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid?
The molecular formula of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid is C18H16O8.
What is the molecular weight of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid?
The molecular weight of 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid is 360.08 g/mol.
Where can I buy 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid?
You can request a quote for 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.