1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)
TL;DR: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) (CAS 87233-70-3) is a chemical compound with molecular formula C42H56N8O14 and molecular weight 896.39 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-piperazin-1-ylbenzimidazole)
Also Known As: 1-(2-Ethoxyethyl)-2-(1-piperazinyl)-1H-benzimidazole (E)-2-butenedioate (2:3), 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3), (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole, RefChem:1057818
| Molecular Formula | C42H56N8O14 |
|---|---|
| Molecular Weight | 896.39 g/mol |
| LogP | 2.1002 |
| Topological Polar Surface Area | 308.44 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 896.3916 |
| Heavy Atoms | 64 |
| Complexity | 1957.2999 |
Chemical Identifiers
| CAS Number | 87233-70-3 |
|---|---|
| SMILES | CCOCCN1C(=NC2=CC=CC=C12)N3CCNCC3.CCOCCN1C(=NC2=CC=CC=C12)N3CCNCC3.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
1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) (CAS 87233-70-3), with molecular formula C42H56N8O14 and molecular weight 896.39 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole).
Chemical Property Profile of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)
Property Insights of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)
The XLogP value of 2.1002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3). The TPSA of 308.44 Ų indicates high polarity, suggesting 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) has 8 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 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The CAS number of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) is 87233-70-3.
What is the molecular formula of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The molecular formula of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) is C42H56N8O14.
What is the molecular weight of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The molecular weight of 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) is 896.39 g/mol.
Where can I buy 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)?
You can request a quote for 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.