6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde
TL;DR: 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde (CAS 127787-58-0) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
Also Known As: 6,8-dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde, 6,8-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carbaldehyde, 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde, AP-782/41885540, 6,8-dimethoxy-2-methyl-1-oxo-isoquinoline-3-carbaldehyde
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.3682 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 672.7261 |
Chemical Identifiers
| CAS Number | 127787-58-0 |
|---|---|
| SMILES | CN1C(=CC2=CC(=CC(=C2C1=O)OC)OC)C=O |
Product Overview
6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde (CAS 127787-58-0), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde.
Chemical Property Profile of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde
Property Insights of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde
The XLogP value of 1.3682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde. With a topological polar surface area (TPSA) of 57.53 Ų, 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde has 0 hydrogen bond donor(s) and 4 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 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde?
The CAS number of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde is 127787-58-0.
What is the molecular formula of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde?
The molecular formula of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde is C13H13NO4.
What is the molecular weight of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde?
The molecular weight of 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde is 247.08 g/mol.
Where can I buy 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde?
You can request a quote for 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.