3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
TL;DR: 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one (CAS 847783-41-9) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trimethoxymethyl)-2H-isoquinolin-1-one
Also Known As: 3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one, 3-(trimethoxymethyl)isoquinolin-1(2H)-one, 3-(trimethoxymethyl)-2H-isoquinolin-1-one
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.5776 |
| Topological Polar Surface Area | 60.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 592.94324 |
Chemical Identifiers
| CAS Number | 847783-41-9 |
|---|---|
| SMILES | COC(C1=CC2=CC=CC=C2C(=O)N1)(OC)OC |
Product Overview
3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one (CAS 847783-41-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 3-(trimethoxymethyl)-2H-isoquinolin-1-one.
Chemical Property Profile of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
Property Insights of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
The XLogP value of 1.5776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one. The TPSA of 60.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one. Following Lipinski's Rule of Five, 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one has 1 hydrogen bond donor(s) and 4 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-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one?
The CAS number of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one is 847783-41-9.
What is the molecular formula of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one?
The molecular formula of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one is C13H15NO4.
What is the molecular weight of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one?
The molecular weight of 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one is 249.10 g/mol.
Where can I buy 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one?
You can request a quote for 3-(Trimethoxymethyl)-1,2-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-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trimethoxymethyl)-1,2-dihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.