4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone
TL;DR: 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone (CAS 900015-11-4) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one
Also Known As: 4-amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone, 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-isoindol-1-one, 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one, 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]isoindolin-1-one
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 2.4845 |
| Topological Polar Surface Area | 64.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 743.0417 |
Chemical Identifiers
| CAS Number | 900015-11-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3N)OC |
Product Overview
4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone (CAS 900015-11-4), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one.
Chemical Property Profile of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone
Property Insights of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone
The XLogP value of 2.4845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone. The TPSA of 64.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone. Following Lipinski's Rule of Five, 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone has 1 hydrogen bond donor(s) and 4 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 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone?
The CAS number of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone is 900015-11-4.
What is the molecular formula of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone?
The molecular formula of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone is C18H20N2O3.
What is the molecular weight of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone?
The molecular weight of 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone is 312.15 g/mol.
Where can I buy 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone?
You can request a quote for 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(3,4-dimethoxyphenethyl)-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.