3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone
TL;DR: 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone (CAS 21796-15-6) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
Also Known As: Thalifoline, Thalifolin, 7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one, 7-Hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one, 1(2H)-Isoquinolinone, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 21796-15-6 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C1=O)O)OC |
| InChIKey | WPKMGEQXTYQXGI-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone (CAS 21796-15-6), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone
Property Insights of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone. With a topological polar surface area (TPSA) of 49.8 Ų, 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone has 1 hydrogen bond donor(s) and 3 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 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone?
The CAS number of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone is 21796-15-6.
What is the molecular formula of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone?
The molecular formula of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone is C11H13NO3.
What is the molecular weight of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone?
The molecular weight of 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone is 207.09 g/mol.
Where can I buy 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone?
You can request a quote for 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.