1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone
TL;DR: 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone (CAS 54915-65-0) 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)-4,4,7-trimethyl-1,2-dihydroisoquinolin-3-one
Also Known As: 5-22-13-00150 (Beilstein Handbook Reference), 1,4-Dihydro-1-(4-aminophenyl)-4,4,7-trimethyl-3(2H)-isoquinolinone, 1-(4-aminophenyl)-4,4,7-trimethyl-1,4-dihydroisoquinolin-3(2h)-one, 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4,4,7-trimethyl-, 1-(4-aminophenyl)-4,4,7-trimethyl-1,2-dihydroisoquinolin-3-one
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 54915-65-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(C(=O)NC2C3=CC=C(C=C3)N)(C)C |
| InChIKey | HZGATBMNGJMFPB-UHFFFAOYSA-N |
Product Overview
1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone (CAS 54915-65-0), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 1-(4-aminophenyl)-4,4,7-trimethyl-1,2-dihydroisoquinolin-3-one.
Chemical Property Profile of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone
Property Insights of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone
The XLogP value of 3.0 indicates that 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone 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 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone?
The CAS number of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone is 54915-65-0.
What is the molecular formula of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone?
The molecular formula of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone is C18H20N2O.
What is the molecular weight of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone?
The molecular weight of 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone is 280.16 g/mol.
Where can I buy 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone?
You can request a quote for 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.