3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one
TL;DR: 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one (CAS 901981-69-9) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,7-trimethyl-2,4-dihydroisoquinolin-1-one
Also Known As: 3,3,7-trimethyl-2,4-dihydroisoquinolin-1-one, 3,3,7-trimethyl-3,4-dihydroisoquinolin-1-one
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.05952 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 393.30826 |
Chemical Identifiers
| CAS Number | 901981-69-9 |
|---|---|
| SMILES | CC1=CC2=C(CC(NC2=O)(C)C)C=C1 |
Product Overview
3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one (CAS 901981-69-9), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 3,3,7-trimethyl-2,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one
Property Insights of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one
The XLogP value of 2.05952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one has 1 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 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one?
The CAS number of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one is 901981-69-9.
What is the molecular formula of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one?
The molecular formula of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one is C12H15NO.
What is the molecular weight of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one?
The molecular weight of 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one is 189.12 g/mol.
Where can I buy 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one?
You can request a quote for 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3,7-Trimethyl-2,4-dihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.