2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone
TL;DR: 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone (CAS 107400-33-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-2-methylpropan-2-yl)-3H-isoindol-1-one
Also Known As: Bionet2_000379, 2-(2-hydroxy-1,1-dimethylethyl)-1-isoindolinone, 2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindol-1-one, 2-(1-hydroxy-2-methylpropan-2-yl)-3H-isoindol-1-one, 2-(1-Hydroxy-2-methyl-2-propanyl)-1-isoindolinone
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4133 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 398.36353 |
Chemical Identifiers
| CAS Number | 107400-33-9 |
|---|---|
| SMILES | CC(C)(CO)N1CC2=CC=CC=C2C1=O |
Product Overview
2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone (CAS 107400-33-9), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-(1-hydroxy-2-methylpropan-2-yl)-3H-isoindol-1-one.
Chemical Property Profile of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone
Property Insights of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone
The XLogP value of 1.4133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone. With a topological polar surface area (TPSA) of 40.54 Ų, 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone has 1 hydrogen bond donor(s) and 2 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-Hydroxy-1,1-dimethylethyl)-1-isoindolinone?
The CAS number of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone is 107400-33-9.
What is the molecular formula of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone?
The molecular formula of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone is C12H15NO2.
What is the molecular weight of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone?
The molecular weight of 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone is 205.11 g/mol.
Where can I buy 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone?
You can request a quote for 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxy-1,1-dimethylethyl)-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.