2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
TL;DR: 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione (CAS 416891-33-3) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione
Also Known As: BIM-0022964.P001, AB00087565-01, BRD-A41779035-001-01-4, 2-((2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione, 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione
| Molecular Formula | C20H18N2O3 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 2.4285 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.13174 |
| Heavy Atoms | 25 |
| Complexity | 855.01495 |
Chemical Identifiers
| CAS Number | 416891-33-3 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione (CAS 416891-33-3), with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol. IUPAC: 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
Property Insights of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
The XLogP value of 2.4285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 57.69 Ų, 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione has 0 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-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The CAS number of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is 416891-33-3.
What is the molecular formula of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The molecular formula of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is C20H18N2O3.
What is the molecular weight of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The molecular weight of 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is 334.13 g/mol.
Where can I buy 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
You can request a quote for 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.