3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
TL;DR: 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 864751-83-7) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-isoindole-4-carboxylic acid
Also Known As: ZERO/005438, 3-Oxo-2-(3,4,5-trimethoxybenzyl)isoindoline-4-carboxylic acid, 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid, 3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-isoindole-4-carboxylic acid, 3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]isoindoline-4-carboxylic acid
| Molecular Formula | C19H19NO6 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 2.5666 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.12125 |
| Heavy Atoms | 26 |
| Complexity | 851.32336 |
Chemical Identifiers
| CAS Number | 864751-83-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN2CC3=C(C2=O)C(=CC=C3)C(=O)O |
Product Overview
3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 864751-83-7), with molecular formula C19H19NO6 and molecular weight 357.12 g/mol. IUPAC: 3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
Property Insights of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid
The XLogP value of 2.5666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The CAS number of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is 864751-83-7.
What is the molecular formula of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular formula of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is C19H19NO6.
What is the molecular weight of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular weight of 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid is 357.12 g/mol.
Where can I buy 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
You can request a quote for 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-2-(3,4,5-trimethoxybenzyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.