RefChem:438145
TL;DR: RefChem:438145 (CAS 68123-35-3) is a chemical compound with molecular formula C23H42ClN3O8S2 and molecular weight 587.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl-triethylazanium;ethyl sulfate
Also Known As: 1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-[3-(triethylammonio)propyl]-, bis(ethyl sulfate), 5-Chloro-3-ethyl-2-methyl-1-(gamma-triethylaminopropyl)benzimidazolium, di(ethosulfate), 1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-(3-(triethylammonio)propyl)-, bis(ethyl sulfate), 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-(triethylammonio)propyl)-, ethyl sulfate (1:2), 6-chloro-1-ethyl-2-methyl-3-[3-(triethylammonio)propyl]-1h-3,1-benzimidazol-3-ium bis(ethyl sulfate)
| Molecular Formula | C23H42ClN3O8S2 |
|---|---|
| Molecular Weight | 587.21 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 587.2102 |
| Heavy Atoms | 37 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 68123-35-3 |
|---|---|
| SMILES | CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CCC[N+](CC)(CC)CC)C.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-] |
| InChIKey | QGOPIECIVBFRSD-UHFFFAOYSA-L |
Product Overview
RefChem:438145 (CAS 68123-35-3), with molecular formula C23H42ClN3O8S2 and molecular weight 587.21 g/mol. IUPAC: 3-(5-chloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl-triethylazanium;ethyl sulfate.
Chemical Property Profile of RefChem:438145
Property Insights of RefChem:438145
The XLogP value of 3.14 indicates that RefChem:438145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting RefChem:438145 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438145 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:438145?
The CAS number of RefChem:438145 is 68123-35-3.
What is the molecular formula of RefChem:438145?
The molecular formula of RefChem:438145 is C23H42ClN3O8S2.
What is the molecular weight of RefChem:438145?
The molecular weight of RefChem:438145 is 587.21 g/mol.
Where can I buy RefChem:438145?
You can request a quote for RefChem:438145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438145?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.