2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
TL;DR: 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one (CAS 100390-46-3) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-3-hydroxy-3H-isoindol-1-one
Also Known As: 2-butyl-3-hydroxy-isoindolin-1-one, 2-butyl-3-hydroxy-3H-isoindol-1-one, 2-Butyl-3-hydroxyisoindoline-1-one, 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one, 3-Hydroxy-2-butyl-2H-isoindol-1(3H)-one
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CCCCN1C(C2=CC=CC=C2C1=O)O |
| InChIKey | KIAPEHFVXOBNMV-UHFFFAOYSA-N |
Chemical Property Profile of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
Property Insights of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one. With a topological polar surface area (TPSA) of 40.5 Ų, 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one 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
What is the CAS number of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one?
The CAS number of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one is 100390-46-3.
What is the molecular formula of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one?
The molecular formula of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one is C12H15NO2.
What is the molecular weight of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one?
The molecular weight of 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one is 205.11028 g/mol.
Where can I buy 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one?
You can request a quote for 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one?
Yes, CoreyChem provides custom synthesis services for 2-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.