Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate
TL;DR: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate (CAS 5524-97-0) is a chemical compound with molecular formula C35H37N9O14S and molecular weight 839.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium;bis(2,4,6-trinitrophenolate)
Also Known As: 1-(2-(Diethylamino)ethyl)-2-((p-isobutylphenyl)thio)benzimidazole dipicrate, BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-((p-ISOBUTYLPHENYL)THIO)-, DIPICRATE, diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium; 2,4,6-trinitrophenolate, RefChem:325799
| Molecular Formula | C35H37N9O14S |
|---|---|
| Molecular Weight | 839.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 370.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 839.2181 |
| Heavy Atoms | 59 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 5524-97-0 |
|---|---|
| SMILES | CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)CC(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XRNNJJPJEASNQS-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate (CAS 5524-97-0), with molecular formula C35H37N9O14S and molecular weight 839.22 g/mol. IUPAC: diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium;bis(2,4,6-trinitrophenolate).
Chemical Property Profile of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate
Property Insights of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate
The XLogP value of 4.7 indicates that Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 370.0 Ų indicates high polarity, suggesting Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate has 2 hydrogen bond donor(s) and 15 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-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate?
The CAS number of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate is 5524-97-0.
What is the molecular formula of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate?
The molecular formula of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate is C35H37N9O14S.
What is the molecular weight of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate?
The molecular weight of Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate is 839.22 g/mol.
Where can I buy Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate?
You can request a quote for Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.