3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone
TL;DR: 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone (CAS 333348-28-0) is a chemical compound with molecular formula C18H19NO and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-(3,4-dimethylphenyl)methanone
Also Known As: BAS 00784318, 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone, (3,4-Dihydro-2(1H)-isoquinolinyl)(3,4-dimethylphenyl)methanone, 2-(3,4-dimethylbenzoyl)-1,2,3,4-tetrahydroisoquinoline, 3,4-dihydro-1H-isoquinolin-2-yl-(3,4-dimethylphenyl)methanone
| Molecular Formula | C18H19NO |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.14667 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 333348-28-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)C |
| InChIKey | PXRUDTKTGZDJHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone (CAS 333348-28-0), with molecular formula C18H19NO and molecular weight 265.15 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(3,4-dimethylphenyl)methanone.
Chemical Property Profile of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone
Property Insights of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone
The XLogP value of 3.6 indicates that 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone has 0 hydrogen bond donor(s) and 1 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 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone?
The CAS number of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone is 333348-28-0.
What is the molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone?
The molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone is C18H19NO.
What is the molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone?
The molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone is 265.15 g/mol.
Where can I buy 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone?
You can request a quote for 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydroisoquinolin-2(1H)-yl(3,4-dimethylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.