2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
TL;DR: 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 131613-54-2) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxy-3-methylbutyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(1-Carboxy-3-methyl-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, J1.678.564D, AN-919/15529156, 2-(1-CARBOXY-3-METHYLBUTYL)-1,3-DIOXOISOINDOLE-5-CARBOXYLIC ACID
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.4801 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 678.6103 |
Chemical Identifiers
| CAS Number | 131613-54-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
Product Overview
2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 131613-54-2), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: 2-(1-carboxy-3-methylbutyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Property Insights of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
The XLogP value of 1.4801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid has 2 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-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The CAS number of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 131613-54-2.
What is the molecular formula of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is C15H15NO6.
What is the molecular weight of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight of 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 305.09 g/mol.
Where can I buy 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
You can request a quote for 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-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 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.