Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate
TL;DR: Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate (CAS 34703-79-2) is a chemical compound with molecular formula C17H18N6O8 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethoxy)propylazanium;2,4,6-trinitrophenolate
Also Known As: 1-((3-Aminopropoxy)methyl)-benzimidazole picrate, BENZIMIDAZOLE, 1-((3-AMINOPROPOXY)METHYL)-, PICRATE, 3-(benzimidazol-1-ylmethoxy)propylazanium; 2,4,6-trinitrophenolate, 3-(1H-Benzimidazol-1-ylmethoxy)-1-propanaminium 2,4,6-trinitrophenolate, 3-[(1H-1,3-Benzimidazol-1-yl)methoxy]propan-1-aminium 2,4,6-trinitrophenolate
| Molecular Formula | C17H18N6O8 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 1.13 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.11862 |
| Heavy Atoms | 31 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 34703-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2COCCC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BFQKOQXHWCXBLS-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate (CAS 34703-79-2), with molecular formula C17H18N6O8 and molecular weight 434.12 g/mol. IUPAC: 3-(benzimidazol-1-ylmethoxy)propylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate
Property Insights of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate
The XLogP value of 1.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate. The TPSA of 215.0 Ų indicates high polarity, suggesting Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate has 1 hydrogen bond donor(s) and 9 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, 1-((3-aminopropoxy)methyl)-, picrate?
The CAS number of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate is 34703-79-2.
What is the molecular formula of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate?
The molecular formula of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate is C17H18N6O8.
What is the molecular weight of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate?
The molecular weight of Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate is 434.12 g/mol.
Where can I buy Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate?
You can request a quote for Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-((3-aminopropoxy)methyl)-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.