Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate
TL;DR: Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate (CAS 393-79-3) is a chemical compound with molecular formula C20H14N6O10 and molecular weight 498.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenoxy)methyl]benzimidazole;2,4,6-trinitrophenol
Also Known As: 1-Nitro-2,2-dimethylpropane, 1-((p-Nitrophenoxy)methyl)-benzimidazole picrate, Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate, 2,4,6-trinitrophenol- 1-[(4-nitrophenoxy)methyl]-1h-benzimidazole(1:1), 1-[(4-nitrophenoxy)methyl]benzimidazole,2,4,6-trinitrophenol
| Molecular Formula | C20H14N6O10 |
|---|---|
| Molecular Weight | 498.08 g/mol |
| LogP | 4.0978 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.07715 |
| Heavy Atoms | 36 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 393-79-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2COC3=CC=C(C=C3)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JSGVRLSKJZWSLO-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate (CAS 393-79-3), with molecular formula C20H14N6O10 and molecular weight 498.08 g/mol. IUPAC: 1-[(4-nitrophenoxy)methyl]benzimidazole;2,4,6-trinitrophenol.
Chemical Property Profile of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate
Property Insights of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate
The XLogP value of 4.0978 indicates that Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate has 1 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, 1-((p-nitrophenoxy)methyl)-, picrate?
The CAS number of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate is 393-79-3.
What is the molecular formula of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate?
The molecular formula of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate is C20H14N6O10.
What is the molecular weight of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate?
The molecular weight of Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate is 498.08 g/mol.
Where can I buy Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate?
You can request a quote for Benzimidazole, 1-((p-nitrophenoxy)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-((p-nitrophenoxy)methyl)-, picrate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.