Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
TL;DR: Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate (CAS 31488-83-2) is a chemical compound with molecular formula C23H27N3O11 and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: N-3,4,5-Trimethoxybenzyl-benzimidazole-3-ethylamine dioxalate, BENZIMIDAZOLE-3-ETHYLAMINE, N-(3,4,5-TRIMETHOXYBENZYL)-, DIOXALATE, 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate, 3-(2-{[(3,4,5-Trimethoxyphenyl)methyl]azaniumyl}ethyl)-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate), RefChem:325985
| Molecular Formula | C23H27N3O11 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | -3.11 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.16455 |
| Heavy Atoms | 37 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 31488-83-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | UQSBRLDLRFZBSK-UHFFFAOYSA-N |
Product Overview
Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate (CAS 31488-83-2), with molecular formula C23H27N3O11 and molecular weight 521.16 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
Property Insights of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
The XLogP value of -3.11 indicates that Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate?
The CAS number of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate is 31488-83-2.
What is the molecular formula of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate?
The molecular formula of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate is C23H27N3O11.
What is the molecular weight of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate?
The molecular weight of Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate is 521.16 g/mol.
Where can I buy Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate?
You can request a quote for Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.