RefChem:1057825
TL;DR: RefChem:1057825 (CAS 87233-76-9) is a chemical compound with molecular formula C46H64N8O14 and molecular weight 952.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((E)-but-2-enedioic acid);bis(2-(4-methylpiperazin-1-yl)-1-(2-propoxyethyl)benzimidazole)
Also Known As: 2-(4-Methyl-1-piperazinyl)-1-(2-propoxyethyl)-1H-benzimidazole (E)-2-butenedioate (2:3), 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-propoxyethyl)-, (E)-2-butenedioate (2:3), 1-(2-(n-Propoxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(2-propoxyethyl)benzimidazole, RefChem:1057825
| Molecular Formula | C46H64N8O14 |
|---|---|
| Molecular Weight | 952.45 g/mol |
| LogP | 3.5648 |
| Topological Polar Surface Area | 290.86 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 952.4542 |
| Heavy Atoms | 68 |
| Complexity | 2054.377 |
Chemical Identifiers
| CAS Number | 87233-76-9 |
|---|---|
| SMILES | CCCOCCN1C(=NC2=CC=CC=C12)N3CCN(CC3)C.CCCOCCN1C(=NC2=CC=CC=C12)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057825 (CAS 87233-76-9), with molecular formula C46H64N8O14 and molecular weight 952.45 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(2-(4-methylpiperazin-1-yl)-1-(2-propoxyethyl)benzimidazole).
Chemical Property Profile of RefChem:1057825
Property Insights of RefChem:1057825
The XLogP value of 3.5648 indicates that RefChem:1057825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 290.86 Ų indicates high polarity, suggesting RefChem:1057825 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057825 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057825?
The CAS number of RefChem:1057825 is 87233-76-9.
What is the molecular formula of RefChem:1057825?
The molecular formula of RefChem:1057825 is C46H64N8O14.
What is the molecular weight of RefChem:1057825?
The molecular weight of RefChem:1057825 is 952.45 g/mol.
Where can I buy RefChem:1057825?
You can request a quote for RefChem:1057825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057825?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.