2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
TL;DR: 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (CAS 41958-53-6) 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.
(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one
Also Known As: trans-3,4-Dihydro-4-phenyl-2,3,7-trimethyl-1(2H)-isocarbostyril, 1(2H)-Isoquinolone, 3,4-dihydro-4-phenyl-2,3,7-trimethyl-, (E)-, 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one, 1(2H)-ISOCARBOSTYRIL, 3,4-DIHYDRO-4-PHENYL-2,3,7-TRIMETHYL-, (E)-, (3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one
| Molecular Formula | C18H19NO |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 3.7 |
| 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 | 360.0 |
Chemical Identifiers
| CAS Number | 41958-53-6 |
|---|---|
| SMILES | C[C@H]1[C@@H](C2=CC=CC(=C2C(=O)N1C)C)C3=CC=CC=C3 |
| InChIKey | FJODHFDATMVNDW-SUMWQHHRSA-N |
Product Overview
2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (CAS 41958-53-6), with molecular formula C18H19NO and molecular weight 265.15 g/mol. IUPAC: (3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Property Insights of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
The XLogP value of 3.7 indicates that 2,3,8-Trimethyl-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, 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,8-Trimethyl-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 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The CAS number of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is 41958-53-6.
What is the molecular formula of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The molecular formula of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is C18H19NO.
What is the molecular weight of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
The molecular weight of 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one is 265.15 g/mol.
Where can I buy 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
You can request a quote for 2,3,8-Trimethyl-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 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.