1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline
TL;DR: 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline (CAS 39563-81-0) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3-hydroxy-2-phenylisoindol-1-one
Also Known As: 3-tert-butyl-3-hydroxy-2-phenyl-1-isoindolinone, 1-tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline, 3-tert-butyl-3-hydroxy-2-phenylisoindol-1-one, 3-hydroxy-2-phenyl-3-tert-butyl-isoindol-1-one, 3-(tert-Butyl)-3-hydroxy-2-phenylisoindolin-1-one
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.5382 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 687.86456 |
Chemical Identifiers
| CAS Number | 39563-81-0 |
|---|---|
| SMILES | CC(C)(C)C1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O |
Product Overview
1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline (CAS 39563-81-0), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: 3-tert-butyl-3-hydroxy-2-phenylisoindol-1-one.
Chemical Property Profile of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline
Property Insights of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline
The XLogP value of 3.5382 indicates that 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline 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-phenyl-3-oxoisoindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline 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-phenyl-3-oxoisoindoline?
The CAS number of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline is 39563-81-0.
What is the molecular formula of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline?
The molecular formula of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline is C18H19NO2.
What is the molecular weight of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline?
The molecular weight of 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline is 281.14 g/mol.
Where can I buy 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline?
You can request a quote for 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline 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-phenyl-3-oxoisoindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-1-hydroxy-2-phenyl-3-oxoisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.