2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
TL;DR: 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 41935-27-7) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetyl-3-oxobutyl)isoindole-1,3-dione
Also Known As: 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione, 2-(2-acetyl-3-oxobutyl)isoindole-1,3-dione, NCI60_017223, 2-(2-acetyl-3-oxo-butyl)isoindoline-1,3-dione, 2-(2-Acetyl-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 41935-27-7 |
|---|---|
| SMILES | CC(=O)C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)C |
| InChIKey | XIMLYUAJDIUXCV-UHFFFAOYSA-N |
Product Overview
2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 41935-27-7), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: 2-(2-acetyl-3-oxobutyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
Property Insights of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione has 0 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-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The CAS number of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione is 41935-27-7.
What is the molecular formula of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular formula of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione is C14H13NO4.
What is the molecular weight of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular weight of 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione is 259.08 g/mol.
Where can I buy 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione?
You can request a quote for 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.