Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate
TL;DR: Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate (CAS 13451-94-0) is a chemical compound with molecular formula C33H31N9O15S and molecular weight 825.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium;bis(2,4,6-trinitrophenolate)
Also Known As: 2-((p-Ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)benzimidazole dipicrate, BENZIMIDAZOLE, 2-((p-ETHOXYPHENYL)THIO)-1-(2-(1-PYRROLIDINYL)ETHYL)-, DIPICRATE, 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium; 2,4,6-trinitrophenolate, 2-((p-Ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)benzimidazoledipicrate, RefChem:325845
| Molecular Formula | C33H31N9O15S |
|---|---|
| Molecular Weight | 825.17 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 380.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 825.166 |
| Heavy Atoms | 58 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 13451-94-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCC4.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 | BHUNTJHRMPBQFW-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate (CAS 13451-94-0), with molecular formula C33H31N9O15S and molecular weight 825.17 g/mol. IUPAC: 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium;bis(2,4,6-trinitrophenolate).
Chemical Property Profile of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate
Property Insights of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate
The XLogP value of 3.65 indicates that Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 380.0 Ų indicates high polarity, suggesting Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate?
The CAS number of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate is 13451-94-0.
What is the molecular formula of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate?
The molecular formula of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate is C33H31N9O15S.
What is the molecular weight of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate?
The molecular weight of Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate is 825.17 g/mol.
Where can I buy Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate?
You can request a quote for Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-((p-ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)-, dipicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.