RefChem:1057832
TL;DR: RefChem:1057832 (CAS 87233-74-7) is a chemical compound with molecular formula C29H34N4O9 and molecular weight 582.23 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-phenoxyethyl)benzimidazole
Also Known As: 1-(2-Phenoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate, 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-phenoxyethyl)benzimidazole, 1-[2-(phenoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate, RefChem:1057832
| Molecular Formula | C29H34N4O9 |
|---|---|
| Molecular Weight | 582.23 g/mol |
| LogP | 2.6808 |
| Topological Polar Surface Area | 182.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.2326 |
| Heavy Atoms | 42 |
| Complexity | 1320.2625 |
Chemical Identifiers
| CAS Number | 87233-74-7 |
|---|---|
| SMILES | CN1CCN(CCC1)C2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057832 (CAS 87233-74-7), with molecular formula C29H34N4O9 and molecular weight 582.23 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-phenoxyethyl)benzimidazole.
Chemical Property Profile of RefChem:1057832
Property Insights of RefChem:1057832
The XLogP value of 2.6808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057832. The TPSA of 182.73 Ų indicates high polarity, suggesting RefChem:1057832 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057832 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:1057832?
The CAS number of RefChem:1057832 is 87233-74-7.
What is the molecular formula of RefChem:1057832?
The molecular formula of RefChem:1057832 is C29H34N4O9.
What is the molecular weight of RefChem:1057832?
The molecular weight of RefChem:1057832 is 582.23 g/mol.
Where can I buy RefChem:1057832?
You can request a quote for RefChem:1057832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057832?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.