Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate
TL;DR: Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate (CAS 31575-73-2) is a chemical compound with molecular formula C21H23N3O8 and molecular weight 445.15 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-[(4-methylphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: N-p-Methylbenzyl-benzimidazole-3-ethylamine dioxalate, BENZIMIDAZOLE-3-ETHYLAMINE, N-p-METHYLBENZYL-, DIOXALATE, 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methylphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate, 3-(2-{[(4-Methylphenyl)methyl]azaniumyl}ethyl)-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate), RefChem:325990
| Molecular Formula | C21H23N3O8 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | -2.83 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.14853 |
| Heavy Atoms | 32 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 31575-73-2 |
|---|---|
| SMILES | CC1=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 | NLCVXDYODFEMME-UHFFFAOYSA-N |
Product Overview
Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate (CAS 31575-73-2), with molecular formula C21H23N3O8 and molecular weight 445.15 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methylphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate
Property Insights of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate
The XLogP value of -2.83 indicates that Benzimidazole-3-ethylamine, N-p-methylbenzyl-, 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-p-methylbenzyl-, dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole-3-ethylamine, N-p-methylbenzyl-, 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
Frequently Asked Questions
What is the CAS number of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate?
The CAS number of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate is 31575-73-2.
What is the molecular formula of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate?
The molecular formula of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate is C21H23N3O8.
What is the molecular weight of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate?
The molecular weight of Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate is 445.15 g/mol.
Where can I buy Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate?
You can request a quote for Benzimidazole-3-ethylamine, N-p-methylbenzyl-, 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-p-methylbenzyl-, dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-3-ethylamine, N-p-methylbenzyl-, dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.