Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate
TL;DR: Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate (CAS 102516-94-9) is a chemical compound with molecular formula C18H25N3O9 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: BENZIMIDAZOLE, 1-((2-(DIETHYLAMINO)ETHOXY)METHYL)-, DIOXALATE, 1-((2-(Diethylamino)ethoxy)methyl)-benzimidazole dioxalate, 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium;2-hydroxy-2-oxoacetate, 2-(benzimidazol-1-ylmethoxy)-N,N-diethylethanamine, 2-(1h-benzimidazol-1-ylmethoxy)-n,n-diethylethanamine diethanedioate
| Molecular Formula | C18H25N3O9 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1591 |
| Heavy Atoms | 30 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 102516-94-9 |
|---|---|
| SMILES | CC[NH+](CC)CCOC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | CWADDLWSLKNOHF-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate (CAS 102516-94-9), with molecular formula C18H25N3O9 and molecular weight 427.16 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-diethylazanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate
Property Insights of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate
The XLogP value of -4.0 indicates that Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate has 4 hydrogen bond donor(s) and 9 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 Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate?
The CAS number of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate is 102516-94-9.
What is the molecular formula of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate?
The molecular formula of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate is C18H25N3O9.
What is the molecular weight of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate?
The molecular weight of Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate is 427.16 g/mol.
Where can I buy Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate?
You can request a quote for Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-((2-(diethylamino)ethoxy)methyl)-, dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.