2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
TL;DR: 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 96296-39-8) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, LEIOPHRROLE, 2-Butyl-1,3-dioxoisoindoline-5-carboxylic acid, 2-butyl-1,3-dioxoisoindole-5-carboxylic acid, 1H-Isoindole-5-carboxylicacid, 2-butyl-2,3-dihydro-1,3-dioxo-
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.7809 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 535.79285 |
Chemical Identifiers
| CAS Number | 96296-39-8 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
Product Overview
2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 96296-39-8), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 2-butyl-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Property Insights of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
The XLogP value of 1.7809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The CAS number of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 96296-39-8.
What is the molecular formula of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is C13H13NO4.
What is the molecular weight of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight of 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 247.08 g/mol.
Where can I buy 2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
You can request a quote for 2-butyl-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-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-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.