3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
TL;DR: 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- (CAS 16535-98-1) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
Also Known As: Bemarinone, Orf 16600, 6,7-Dimethoxy-1-methyl-2H-isoquinolin-3-one, IFLab1_004508, 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 16535-98-1 |
|---|---|
| SMILES | CC1=C2C=C(C(=CC2=CC(=O)N1)OC)OC |
| InChIKey | KJXMVLDOJZNMDG-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-1-methyl- (CAS 16535-98-1), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
Property Insights of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-. With a topological polar surface area (TPSA) of 47.6 Ų, 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- 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(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-?
The CAS number of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- is 16535-98-1.
What is the molecular formula of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-?
The molecular formula of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- is C12H13NO3.
What is the molecular weight of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-?
The molecular weight of 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- is 219.09 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-?
You can request a quote for 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- 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-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.