3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
TL;DR: 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride (CAS 37415-52-4) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride
Also Known As: 3(2H)-ISOQUINOLINONE, 6,7-DIMETHOXY-2-METHYL-1-VERATRYL-, HYDROCHLORIDE, 6,7-Dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone hydrochloride, 3(2H)-Isoquinolinone, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-, hydrochloride, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride, RefChem:269465
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | -3.09 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 37415-52-4 |
|---|---|
| SMILES | C[NH+]1C(=O)C=C2C=C(C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)OC)OC.[Cl-] |
| InChIKey | SURRETGRDSOPKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride (CAS 37415-52-4), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride.
Chemical Property Profile of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
Property Insights of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
The XLogP value of -3.09 indicates that 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride has 1 hydrogen bond donor(s) and 6 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(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride?
The CAS number of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride is 37415-52-4.
What is the molecular formula of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride?
The molecular formula of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride is C21H24ClNO5.
What is the molecular weight of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride?
The molecular weight of 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride is 405.13 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride?
You can request a quote for 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.