IFLab1_004860
TL;DR: IFLab1_004860 (CAS 1164550-55-3) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-hydroxy-2-methyl-4-(oxolan-2-ylmethyliminomethyl)benzo[g][1]benzofuran-3-carboxylate
Also Known As: IFLab1_004860, IDI1_010615, F1094-0118, (Z)-ethyl 2-methyl-5-oxo-4-((((tetrahydrofuran-2-yl)methyl)amino)methylene)-4,5-dihydronaphtho[1,2-b]furan-3-carboxylate, ethyl (4Z)-2-methyl-5-oxo-4-({[(oxolan-2-yl)methyl]amino}methylidene)-4H,5H-naphtho[1,2-b]furan-3-carboxylate
Technical Specifications
| Molecular Formula | C22H23NO5 |
| Molecular Weight | 381.15762 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.15762 Da |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C=NCC4CCCO4)C |
| InChIKey | QLBYRCZIIIFQSB-UHFFFAOYSA-N |
Chemical Property Profile of IFLab1_004860
Property Insights of IFLab1_004860
The XLogP value of 3.8 indicates that IFLab1_004860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004860. Following Lipinski's Rule of Five, IFLab1_004860 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
What is the CAS number of IFLab1_004860?
The CAS number of IFLab1_004860 is 1164550-55-3.
What is the molecular formula of IFLab1_004860?
The molecular formula of IFLab1_004860 is C22H23NO5.
What is the molecular weight of IFLab1_004860?
The molecular weight of IFLab1_004860 is 381.15762 g/mol.
Where can I buy IFLab1_004860?
You can request a quote for IFLab1_004860 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IFLab1_004860?
Yes, CoreyChem provides custom synthesis services for IFLab1_004860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.