1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone
TL;DR: 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone (CAS 39563-83-2) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3-hydroxy-2-methyl-5-phenylisoindol-1-one
Also Known As: 1-tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone, 3-tert-butyl-3-hydroxy-2-methyl-5-phenyl-1-isoindolinone, 3-tert-butyl-3-hydroxy-2-methyl-5-phenylisoindol-1-one, 3-hydroxy-2-methyl-5-phenyl-3-tert-butyl-isoindol-1-one, 3-(tert-Butyl)-3-hydroxy-2-methyl-5-phenylisoindolin-1-one
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 3.6304 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 730.8456 |
Chemical Identifiers
| CAS Number | 39563-83-2 |
|---|---|
| SMILES | CC(C)(C)C1(C2=C(C=CC(=C2)C3=CC=CC=C3)C(=O)N1C)O |
Product Overview
1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone (CAS 39563-83-2), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: 3-tert-butyl-3-hydroxy-2-methyl-5-phenylisoindol-1-one.
Chemical Property Profile of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone
Property Insights of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone
The XLogP value of 3.6304 indicates that 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-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 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone?
The CAS number of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone is 39563-83-2.
What is the molecular formula of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone?
The molecular formula of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone is C19H21NO2.
What is the molecular weight of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone?
The molecular weight of 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone is 295.16 g/mol.
Where can I buy 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone?
You can request a quote for 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-1-hydroxy-2-methyl-6-phenyl-3-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.