F2621-0531
TL;DR: F2621-0531 (CAS 898457-31-3) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide
Also Known As: F2621-0531, 2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide, 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide, 2-((2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)-N-(3-nitrophenyl)acetamide, N-m-nitrophenyl[2-(2-methoxyethyl)-1-oxo-1,2-dihydro-5-isoquinolyloxy]acetamide
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.5736 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 1108.812 |
Chemical Identifiers
| CAS Number | 898457-31-3 |
|---|---|
| SMILES | COCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F2621-0531 (CAS 898457-31-3), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of F2621-0531
Property Insights of F2621-0531
The XLogP value of 2.5736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2621-0531. The TPSA of 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F2621-0531. Following Lipinski's Rule of Five, F2621-0531 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 F2621-0531?
The CAS number of F2621-0531 is 898457-31-3.
What is the molecular formula of F2621-0531?
The molecular formula of F2621-0531 is C20H19N3O6.
What is the molecular weight of F2621-0531?
The molecular weight of F2621-0531 is 397.13 g/mol.
Where can I buy F2621-0531?
You can request a quote for F2621-0531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2621-0531?
Yes, KEHONG BIO provides custom synthesis services for F2621-0531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.