RefChem:325856
TL;DR: RefChem:325856 (CAS 5993-41-9) 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.
2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate)
Also Known As: Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate, 2-((p-tert-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate, 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2,4,6-trinitrophenolate, RefChem:325856
| Molecular Formula | C35H37N9O14S |
|---|---|
| Molecular Weight | 839.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 370.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 839.2181 |
| Heavy Atoms | 59 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 5993-41-9 |
|---|---|
| SMILES | CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)(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 | DHWWYBFRPPLTLT-UHFFFAOYSA-N |
Product Overview
RefChem:325856 (CAS 5993-41-9), with molecular formula C35H37N9O14S and molecular weight 839.22 g/mol. IUPAC: 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate).
Chemical Property Profile of RefChem:325856
Property Insights of RefChem:325856
The XLogP value of 4.8 indicates that RefChem:325856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 370.0 Ų indicates high polarity, suggesting RefChem:325856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325856 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 RefChem:325856?
The CAS number of RefChem:325856 is 5993-41-9.
What is the molecular formula of RefChem:325856?
The molecular formula of RefChem:325856 is C35H37N9O14S.
What is the molecular weight of RefChem:325856?
The molecular weight of RefChem:325856 is 839.22 g/mol.
Where can I buy RefChem:325856?
You can request a quote for RefChem:325856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.