3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
TL;DR: 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- (CAS 40119-27-5) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: 5-22-13-00149 (Beilstein Handbook Reference), 1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone, 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-, 1-(4'-aminophenyl)-1,4-dihydro-4-isopropyl-3(2H)-isoquinolinone, 1-(4-Aminophenyl)-4-(propan-2-yl)-1,4-dihydroisoquinolin-3-ol
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 40119-27-5 |
|---|---|
| SMILES | CC(C)C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)N |
| InChIKey | VAVWHOYMACWEOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- (CAS 40119-27-5), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 1-(4-aminophenyl)-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
Property Insights of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
The XLogP value of 3.1 indicates that 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- has 2 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 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-?
The CAS number of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- is 40119-27-5.
What is the molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-?
The molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- is C18H20N2O.
What is the molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-?
The molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- is 280.16 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-?
You can request a quote for 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.