6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
TL;DR: 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (CAS 41958-49-0) is a chemical compound with molecular formula C21H25NO and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-6-tert-butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one
Also Known As: 1(2H)-Isocarbostyril, 6-tert-butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-, (3S,4R)-6-tert-butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one, 1(2H)-Isoquinolone, 6-tert-butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-, trans-6-tert-Butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-1(2H)-isocarbostyril, 1(2H)-ISOCARBOSTYRIL, 3,4-DIHYDRO-6-tert-BUTYL-2,3-DIMETHYL-4-PHENYL-, (E)-
| Molecular Formula | C21H25NO |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1936 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 41958-49-0 |
|---|---|
| SMILES | C[C@H]1[C@@H](C2=C(C=CC(=C2)C(C)(C)C)C(=O)N1C)C3=CC=CC=C3 |
| InChIKey | AJEOKJMTTSWPJO-IFXJQAMLSA-N |
Product Overview
6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (CAS 41958-49-0), with molecular formula C21H25NO and molecular weight 307.19 g/mol. IUPAC: (3S,4R)-6-tert-butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Property Insights of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
The XLogP value of 5.0 indicates that 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one 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 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The CAS number of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is 41958-49-0.
What is the molecular formula of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The molecular formula of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is C21H25NO.
What is the molecular weight of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The molecular weight of 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is 307.19 g/mol.
Where can I buy 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
You can request a quote for 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.