Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate
TL;DR: Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate (CAS 31488-80-9) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 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-methylbutyl)azanium;oxalate
Also Known As: N-Isopentyl-benzimidazole-3-ethylamine sesquioxalate, BENZIMIDAZOLE-3-ETHYLAMINE, N-ISOPENTYL-, SESQUIOXALATE, C14-H21-N3.3/2C2-H2-O4, 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium; oxalate, 3-{2-[(3-Methylbutyl)azaniumyl]ethyl}-1H-1,3-benzimidazol-3-ium ethanedioate
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | -2.45 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 31488-80-9 |
|---|---|
| SMILES | CC(C)CC[NH2+]CC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])[O-] |
| InChIKey | NSLMSAPIPOVEJK-UHFFFAOYSA-N |
Product Overview
Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate (CAS 31488-80-9), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium;oxalate.
Chemical Property Profile of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate
Property Insights of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate
The XLogP value of -2.45 indicates that Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate. Following Lipinski's Rule of Five, Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate has 2 hydrogen bond donor(s) and 4 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-isopentyl-, sesquioxalate?
The CAS number of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate is 31488-80-9.
What is the molecular formula of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate?
The molecular formula of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate is C16H23N3O4.
What is the molecular weight of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate?
The molecular weight of Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate is 321.17 g/mol.
Where can I buy Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate?
You can request a quote for Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate 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-isopentyl-, sesquioxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.