5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one
TL;DR: 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one (CAS 89246-47-9) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethanimidoyl-1-hydroxy-2-methyl-5,6,7,8-tetrahydroisoquinolin-3-one
Also Known As: 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one, 1(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-3-HYDROXY-4-(1-IMINOMETHYL)-2-METHYL-, (4Z)-4-(1-aminoethylidene)-2-methyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 89246-47-9 |
|---|---|
| SMILES | CC(=N)C1=C2CCCCC2=C(N(C1=O)C)O |
| InChIKey | XRLRNIATRWAXAR-UHFFFAOYSA-N |
Product Overview
5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one (CAS 89246-47-9), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 4-ethanimidoyl-1-hydroxy-2-methyl-5,6,7,8-tetrahydroisoquinolin-3-one.
Chemical Property Profile of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one
Property Insights of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one has 2 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 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one?
The CAS number of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one is 89246-47-9.
What is the molecular formula of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one?
The molecular formula of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one is C12H16N2O2.
What is the molecular weight of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one?
The molecular weight of 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one is 220.12 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one?
You can request a quote for 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-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 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.