2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid
TL;DR: 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid (CAS 728024-39-3) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid
Also Known As: 2-(3,4-dimethoxybenzyl)-3-oxoisoindoline-4-carboxylic acid, TOS-BB-0943, ZERO/005342, NAPHTHYL-1,3,5-TRISULFONICACID, 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.558 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 815.0516 |
Chemical Identifiers
| CAS Number | 728024-39-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)O)OC |
Product Overview
2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid (CAS 728024-39-3), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid
Property Insights of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid
The XLogP value of 2.558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid?
The CAS number of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid is 728024-39-3.
What is the molecular formula of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid?
The molecular formula of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid is C18H17NO5.
What is the molecular weight of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid?
The molecular weight of 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid is 327.11 g/mol.
Where can I buy 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid?
You can request a quote for 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-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 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dimethoxyphenyl)methyl)-2,3-dihydro-3-oxo-1H-isoindole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.