Sodium ionophore I
TL;DR: Sodium ionophore I (CAS 61183-76-4) is a chemical compound with molecular formula C36H71N3O6 and molecular weight 641.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-bis[[2-[heptyl(methyl)amino]-2-oxoethoxy]methyl]butoxy]-N-heptyl-N-methylacetamide
Also Known As: Sodium ionophore I, Eth 227, SODIUMIONOPHOREI, 2-[2,2-bis[[2-[heptyl(methyl)amino]-2-oxoethoxy]methyl]butoxy]-N-heptyl-N-methylacetamide, I05-2982
| Molecular Formula | C36H71N3O6 |
|---|---|
| Molecular Weight | 641.53 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 31 |
| Exact Mass | 641.5343 |
| Heavy Atoms | 45 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 61183-76-4 |
|---|---|
| SMILES | CCCCCCCN(C)C(=O)COCC(CC)(COCC(=O)N(C)CCCCCCC)COCC(=O)N(C)CCCCCCC |
| InChIKey | PMECOBBGCPFYPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium ionophore I (CAS 61183-76-4), with molecular formula C36H71N3O6 and molecular weight 641.53 g/mol. IUPAC: 2-[2,2-bis[[2-[heptyl(methyl)amino]-2-oxoethoxy]methyl]butoxy]-N-heptyl-N-methylacetamide.
Chemical Property Profile of Sodium ionophore I
Property Insights of Sodium ionophore I
The XLogP value of 8.0 indicates that Sodium ionophore I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium ionophore I. Following Lipinski's Rule of Five, Sodium ionophore I has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium ionophore I?
The CAS number of Sodium ionophore I is 61183-76-4.
What is the molecular formula of Sodium ionophore I?
The molecular formula of Sodium ionophore I is C36H71N3O6.
What is the molecular weight of Sodium ionophore I?
The molecular weight of Sodium ionophore I is 641.53 g/mol.
Where can I buy Sodium ionophore I?
You can request a quote for Sodium ionophore I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium ionophore I?
Yes, KEHONG BIO provides custom synthesis services for Sodium ionophore I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.