6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone
TL;DR: 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone (CAS 419541-58-5) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-propyl-2H-isoquinolin-3-one
Also Known As: Maybridge3_003442, 6,7-dimethoxy-1-propyl-3-isoquinolinol, 6,7-dimethoxy-1-propyl-2H-isoquinolin-3-one, 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone, IDI1_014829
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 419541-58-5 |
|---|---|
| SMILES | CCCC1=C2C=C(C(=CC2=CC(=O)N1)OC)OC |
| InChIKey | AJEWHZOWLOTHDX-UHFFFAOYSA-N |
Product Overview
6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone (CAS 419541-58-5), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 6,7-dimethoxy-1-propyl-2H-isoquinolin-3-one.
Chemical Property Profile of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone
Property Insights of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone. With a topological polar surface area (TPSA) of 47.6 Ų, 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone 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 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone?
The CAS number of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone is 419541-58-5.
What is the molecular formula of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone?
The molecular formula of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone is C14H17NO3.
What is the molecular weight of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone?
The molecular weight of 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone is 247.12 g/mol.
Where can I buy 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone?
You can request a quote for 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-1-propyl-3(2H)-Isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.