isoquinolinone scaffold, 24
TL;DR: isoquinolinone scaffold, 24 (CAS 868224-72-0) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
Also Known As: isoquinolinone scaffold, 24, ethyl 2-({2-[(cyclohexylcarbamoyl)methyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)propanoate, F1808-0169, ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate, Ethyl 2-[2-(cyclohexylcarbamoylmethyl)-1-oxo-isoquinolin-5-yl]oxypropanoate
| Molecular Formula | C22H28N2O5 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 2.7808 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.19983 |
| Heavy Atoms | 29 |
| Complexity | 930.4348 |
Chemical Identifiers
| CAS Number | 868224-72-0 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCCC3 |
Product Overview
isoquinolinone scaffold, 24 (CAS 868224-72-0), with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol. IUPAC: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate.
Chemical Property Profile of isoquinolinone scaffold, 24
Property Insights of isoquinolinone scaffold, 24
The XLogP value of 2.7808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isoquinolinone scaffold, 24. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for isoquinolinone scaffold, 24. Following Lipinski's Rule of Five, isoquinolinone scaffold, 24 has 1 hydrogen bond donor(s) and 5 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, 24?
The CAS number of isoquinolinone scaffold, 24 is 868224-72-0.
What is the molecular formula of isoquinolinone scaffold, 24?
The molecular formula of isoquinolinone scaffold, 24 is C22H28N2O5.
What is the molecular weight of isoquinolinone scaffold, 24?
The molecular weight of isoquinolinone scaffold, 24 is 400.20 g/mol.
Where can I buy isoquinolinone scaffold, 24?
You can request a quote for isoquinolinone scaffold, 24 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isoquinolinone scaffold, 24?
Yes, KEHONG BIO provides custom synthesis services for isoquinolinone scaffold, 24 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.