Benzimidazole-3-ethylamine, N-benzyl-, dioxalate
TL;DR: Benzimidazole-3-ethylamine, N-benzyl-, dioxalate (CAS 31488-81-0) is a chemical compound with molecular formula C20H21N3O8 and molecular weight 431.13287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzylazanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: N-Benzyl-benzimidazole-3-ethylamine dioxalate, BENZIMIDAZOLE-3-ETHYLAMINE, N-BENZYL-, DIOXALATE, 2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzylazanium; 2-hydroxy-2-oxoacetate, 3-[2-(Benzylazaniumyl)ethyl]-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
Technical Specifications
| Molecular Formula | C20H21N3O8 |
| Molecular Weight | 431.13287 g/mol |
| XLogP | -3.14 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.13287 Da |
| Heavy Atoms | 31 |
| Complexity | 341.0 |
| SMILES | C1=CC=C(C=C1)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | PXPQJUCLUBEWTJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate
Property Insights of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate
The XLogP value of -3.14 indicates that Benzimidazole-3-ethylamine, N-benzyl-, dioxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Benzimidazole-3-ethylamine, N-benzyl-, dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole-3-ethylamine, N-benzyl-, dioxalate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate?
The CAS number of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate is 31488-81-0.
What is the molecular formula of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate?
The molecular formula of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate is C20H21N3O8.
What is the molecular weight of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate?
The molecular weight of Benzimidazole-3-ethylamine, N-benzyl-, dioxalate is 431.13287 g/mol.
Where can I buy Benzimidazole-3-ethylamine, N-benzyl-, dioxalate?
You can request a quote for Benzimidazole-3-ethylamine, N-benzyl-, dioxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzimidazole-3-ethylamine, N-benzyl-, dioxalate?
Yes, CoreyChem provides custom synthesis services for Benzimidazole-3-ethylamine, N-benzyl-, dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.