RefChem:1057820
TL;DR: RefChem:1057820 (CAS 87233-66-7) is a chemical compound with molecular formula C44H60N8O14 and molecular weight 924.42 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(1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole)
Also Known As: 1-(2-Ethoxyethyl)-2-(4-methyl-1-piperazinyl)-1H-benzimidazole (E)-2-butenedioate (2:3), 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3), (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole, RefChem:1057820
| Molecular Formula | C44H60N8O14 |
|---|---|
| Molecular Weight | 924.42 g/mol |
| LogP | 2.7846 |
| Topological Polar Surface Area | 290.86 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 924.4229 |
| Heavy Atoms | 66 |
| Complexity | 2020.2426 |
Chemical Identifiers
| CAS Number | 87233-66-7 |
|---|---|
| SMILES | CCOCCN1C(=NC2=CC=CC=C12)N3CCN(CC3)C.CCOCCN1C(=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:1057820 (CAS 87233-66-7), with molecular formula C44H60N8O14 and molecular weight 924.42 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole).
Chemical Property Profile of RefChem:1057820
Property Insights of RefChem:1057820
The XLogP value of 2.7846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057820. The TPSA of 290.86 Ų indicates high polarity, suggesting RefChem:1057820 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057820 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:1057820?
The CAS number of RefChem:1057820 is 87233-66-7.
What is the molecular formula of RefChem:1057820?
The molecular formula of RefChem:1057820 is C44H60N8O14.
What is the molecular weight of RefChem:1057820?
The molecular weight of RefChem:1057820 is 924.42 g/mol.
Where can I buy RefChem:1057820?
You can request a quote for RefChem:1057820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.