7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl
TL;DR: 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl (CAS 63080-63-7) is a chemical compound with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-8-(hydroxymethylidene)-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydrobenzo[de]quinolin-7-one;hydrochloride
Also Known As: 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl, 1H-Benzo(de)quinoline-8-carboxaldehyde, 2,3,9,9a-tetrahydro-5,6-dimethoxy-7-hydroxy-1-methyl-,hydrochloride, (8E)-8-(hydroxymethylidene)-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydrobenzo[de]quinolin-7-one hydrochloride
| Molecular Formula | C16H20ClNO4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 2.6829 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1081 |
| Heavy Atoms | 22 |
| Complexity | 641.52325 |
Chemical Identifiers
| CAS Number | 63080-63-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1C/C(=C\O)/C3=O)OC)OC.Cl |
Product Overview
7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl (CAS 63080-63-7), with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol. IUPAC: (8E)-8-(hydroxymethylidene)-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydrobenzo[de]quinolin-7-one;hydrochloride.
Chemical Property Profile of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl
Property Insights of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl
The XLogP value of 2.6829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl. With a topological polar surface area (TPSA) of 59.0 Ų, 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl has 1 hydrogen bond donor(s) and 5 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 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl?
The CAS number of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl is 63080-63-7.
What is the molecular formula of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl?
The molecular formula of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl is C16H20ClNO4.
What is the molecular weight of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl?
The molecular weight of 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl is 325.11 g/mol.
Where can I buy 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl?
You can request a quote for 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.