RefChem:1057830
TL;DR: RefChem:1057830 (CAS 87233-68-9) is a chemical compound with molecular formula C26H34N4O9 and molecular weight 546.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
Also Known As: 1-(2-(Allyloxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate, 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propenyloxy)ethyl)-, (E)-2-butenedioate (1:2), 1-[2-(allyloxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate, (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole, RefChem:1057830
| Molecular Formula | C26H34N4O9 |
|---|---|
| Molecular Weight | 546.23 g/mol |
| LogP | 1.8044 |
| Topological Polar Surface Area | 182.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.2326 |
| Heavy Atoms | 39 |
| Complexity | 1107.3849 |
Chemical Identifiers
| CAS Number | 87233-68-9 |
|---|---|
| SMILES | CN1CCN(CCC1)C2=NC3=CC=CC=C3N2CCOCC=C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057830 (CAS 87233-68-9), with molecular formula C26H34N4O9 and molecular weight 546.23 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole.
Chemical Property Profile of RefChem:1057830
Property Insights of RefChem:1057830
The XLogP value of 1.8044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057830. The TPSA of 182.73 Ų indicates high polarity, suggesting RefChem:1057830 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057830 has 4 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:1057830?
The CAS number of RefChem:1057830 is 87233-68-9.
What is the molecular formula of RefChem:1057830?
The molecular formula of RefChem:1057830 is C26H34N4O9.
What is the molecular weight of RefChem:1057830?
The molecular weight of RefChem:1057830 is 546.23 g/mol.
Where can I buy RefChem:1057830?
You can request a quote for RefChem:1057830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.