5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one
TL;DR: 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one (CAS 129075-74-7) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-3,4-dihydro-2H-isoquinolin-1-one
Also Known As: 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one, 5-ethoxy-3,4-dihydro-2H-isoquinolin-1-one, 5-ethoxy-3,4-dihydro-1(2h)-isoquinolinone, AB00680999-01
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.3712 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 360.3052 |
Chemical Identifiers
| CAS Number | 129075-74-7 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1CCNC2=O |
Product Overview
5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one (CAS 129075-74-7), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 5-ethoxy-3,4-dihydro-2H-isoquinolin-1-one.
Chemical Property Profile of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one
Property Insights of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one
The XLogP value of 1.3712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 38.33 Ų, 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethoxy-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-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one?
The CAS number of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one is 129075-74-7.
What is the molecular formula of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one?
The molecular formula of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one is C11H13NO2.
What is the molecular weight of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one?
The molecular weight of 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one is 191.09 g/mol.
Where can I buy 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one?
You can request a quote for 5-Ethoxy-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-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethoxy-3,4-dihydroisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.