2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione
TL;DR: 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione (CAS 17755-52-1) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2-oxobutyl)isoindole-1,3-dione
Also Known As: 2-(3-methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione, 2-(3-Methyl-2-oxobutyl)isoindoline-1,3-dione, 2-(3-methyl-2-oxobutyl)isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione,2-(3-methyl-2-oxobutyl)-
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 17755-52-1 |
|---|---|
| SMILES | CC(C)C(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | CKJAVTRPTYRMQT-UHFFFAOYSA-N |
Product Overview
2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione (CAS 17755-52-1), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(3-methyl-2-oxobutyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione
Property Insights of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione has 0 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-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione?
The CAS number of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione is 17755-52-1.
What is the molecular formula of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione?
The molecular formula of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione is C13H13NO3.
What is the molecular weight of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione?
The molecular weight of 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione is 231.09 g/mol.
Where can I buy 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione?
You can request a quote for 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.