2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone
TL;DR: 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone (CAS 3532-79-4) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminoethyl)-3-hydroxy-3-phenylisoindol-1-one
Also Known As: 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone, 2-(2-aminoethyl)-3-hydroxy-3-phenylisoindol-1-one, 2-(2-aminoethyl)-3-hydroxy-3-phenyl-isoindolin-1-one, 1H-Isoindol-1-one,2-(2-aminoethyl)-2,3-dihydro-3-hydroxy-3-phenyl-, hydrochloride (1:1)
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 3532-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2CCN)O |
| InChIKey | MXSAPVMERXGFSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone (CAS 3532-79-4), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 2-(2-aminoethyl)-3-hydroxy-3-phenylisoindol-1-one.
Chemical Property Profile of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone
Property Insights of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone. Following Lipinski's Rule of Five, 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone has 2 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-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone?
The CAS number of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone is 3532-79-4.
What is the molecular formula of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone?
The molecular formula of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone is C16H16N2O2.
What is the molecular weight of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone?
The molecular weight of 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone is 268.12 g/mol.
Where can I buy 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone?
You can request a quote for 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-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-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Aminoethyl)-3-hydroxy-3-phenyl-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.