IFLab1_002544
TL;DR: IFLab1_002544 (CAS 851407-05-1) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
Also Known As: IFLab1_002544, N-(2-(5,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)benzo[d][1,3]dioxole-5-carboxamide, N-[2-(5,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide, N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 2.84614 |
| Topological Polar Surface Area | 80.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 1101.2673 |
Chemical Identifiers
| CAS Number | 851407-05-1 |
|---|---|
| SMILES | CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
IFLab1_002544 (CAS 851407-05-1), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of IFLab1_002544
Property Insights of IFLab1_002544
The XLogP value of 2.84614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002544. The TPSA of 80.42 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002544. Following Lipinski's Rule of Five, IFLab1_002544 has 2 hydrogen bond donor(s) and 4 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 IFLab1_002544?
The CAS number of IFLab1_002544 is 851407-05-1.
What is the molecular formula of IFLab1_002544?
The molecular formula of IFLab1_002544 is C21H20N2O4.
What is the molecular weight of IFLab1_002544?
The molecular weight of IFLab1_002544 is 364.14 g/mol.
Where can I buy IFLab1_002544?
You can request a quote for IFLab1_002544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002544?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.