5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one
TL;DR: 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one (CAS 886951-40-2) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methylphenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
Also Known As: AB00681011-01, F2679-0096, 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one, 5-[(3-methylphenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 2.85992 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 649.1883 |
Chemical Identifiers
| CAS Number | 886951-40-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC2=CC=CC3=C2CCNC3=O |
Product Overview
5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one (CAS 886951-40-2), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 5-[(3-methylphenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one.
Chemical Property Profile of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one
Property Insights of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one
The XLogP value of 2.85992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 38.33 Ų, 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one has 1 hydrogen bond donor(s) and 2 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 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one?
The CAS number of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one is 886951-40-2.
What is the molecular formula of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one?
The molecular formula of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one is C17H17NO2.
What is the molecular weight of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one?
The molecular weight of 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one is 267.13 g/mol.
Where can I buy 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one?
You can request a quote for 5-((3-methylbenzyl)oxy)-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 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-methylbenzyl)oxy)-3,4-dihydroisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.