Lithium ionophore I
TL;DR: Lithium ionophore I (CAS 58821-96-8) is a chemical compound with molecular formula C25H50N2O4 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide
Also Known As: Lithium ionophore I, ETH 149, ETH149, N,N'-Diheptyl-N,N',5,5-tetramethyl-3,7-dioxanonanediamide, N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide
| Molecular Formula | C25H50N2O4 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 442.37704 |
| Heavy Atoms | 31 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 58821-96-8 |
|---|---|
| SMILES | CCCCCCCN(C)C(=O)COCC(C)(C)COCC(=O)N(C)CCCCCCC |
| InChIKey | WAPYYUBRXJPGKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lithium ionophore I (CAS 58821-96-8), with molecular formula C25H50N2O4 and molecular weight 442.38 g/mol. IUPAC: N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide.
Chemical Property Profile of Lithium ionophore I
Property Insights of Lithium ionophore I
The XLogP value of 5.9 indicates that Lithium ionophore I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Lithium ionophore I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lithium ionophore I has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lithium ionophore I?
The CAS number of Lithium ionophore I is 58821-96-8.
What is the molecular formula of Lithium ionophore I?
The molecular formula of Lithium ionophore I is C25H50N2O4.
What is the molecular weight of Lithium ionophore I?
The molecular weight of Lithium ionophore I is 442.38 g/mol.
Where can I buy Lithium ionophore I?
You can request a quote for Lithium ionophore I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lithium ionophore I?
Yes, KEHONG BIO provides custom synthesis services for Lithium ionophore I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.