Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate
TL;DR: Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate (CAS 24863-38-5) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium;oxalate
Also Known As: 1-Methyl-2-(gamma-aminopropylthio)benzimidazole oxalate, BENZIMIDAZOLE, 2-((3-AMINOPROPYL)THIO)-1-METHYL-, OXALATE, 2-[(3-Ammoniopropyl)sulfanyl]-3-methyl-1H-benzimidazol-3-ium oxalate, 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium; oxalate, RefChem:325839
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 24863-38-5 |
|---|---|
| SMILES | C[N+]1=C(NC2=CC=CC=C21)SCCC[NH3+].C(=O)(C(=O)[O-])[O-] |
| InChIKey | GHRUHKMJSODQEL-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate (CAS 24863-38-5), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium;oxalate.
Chemical Property Profile of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate
Property Insights of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate
The XLogP value of -2.8 indicates that Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate has 2 hydrogen bond donor(s) and 5 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, 2-((3-aminopropyl)thio)-1-methyl-, oxalate?
The CAS number of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate is 24863-38-5.
What is the molecular formula of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate?
The molecular formula of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate is C13H17N3O4S.
What is the molecular weight of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate?
The molecular weight of Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate is 311.09 g/mol.
Where can I buy Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate?
You can request a quote for Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.