isoquinolinone scaffold, 1
TL;DR: isoquinolinone scaffold, 1 (CAS 868224-75-3) is a chemical compound with molecular formula C24H24N2O7 and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
Also Known As: isoquinolinone scaffold, 1, SID 7970631, Steroidogenic factor-1 inhibitor,sid7970631, Steroidogenic Factor-1 Inhibitor, SID7970631, ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
| Molecular Formula | C24H24N2O7 |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 2.377 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.15836 |
| Heavy Atoms | 33 |
| Complexity | 1251.2816 |
Chemical Identifiers
| CAS Number | 868224-75-3 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
isoquinolinone scaffold, 1 (CAS 868224-75-3), with molecular formula C24H24N2O7 and molecular weight 452.16 g/mol. IUPAC: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate.
Chemical Property Profile of isoquinolinone scaffold, 1
Property Insights of isoquinolinone scaffold, 1
The XLogP value of 2.377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isoquinolinone scaffold, 1. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for isoquinolinone scaffold, 1. Following Lipinski's Rule of Five, isoquinolinone scaffold, 1 has 1 hydrogen bond donor(s) and 7 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 isoquinolinone scaffold, 1?
The CAS number of isoquinolinone scaffold, 1 is 868224-75-3.
What is the molecular formula of isoquinolinone scaffold, 1?
The molecular formula of isoquinolinone scaffold, 1 is C24H24N2O7.
What is the molecular weight of isoquinolinone scaffold, 1?
The molecular weight of isoquinolinone scaffold, 1 is 452.16 g/mol.
Where can I buy isoquinolinone scaffold, 1?
You can request a quote for isoquinolinone scaffold, 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isoquinolinone scaffold, 1?
Yes, KEHONG BIO provides custom synthesis services for isoquinolinone scaffold, 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.