RefChem:1052685
TL;DR: RefChem:1052685 (CAS 52401-04-4) is a chemical compound with molecular formula C25H36N2O10 and molecular weight 524.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethylamino)ethyl)-2,5-dimethyl-, dimaleate, 2-(2-(2-Diethylamino)ethylamino)ethyl-2,5-dimethyl-1,3-benzodioxole dimaleate, 2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1052685
| Molecular Formula | C25H36N2O10 |
|---|---|
| Molecular Weight | 524.24 g/mol |
| LogP | -2.88518 |
| Topological Polar Surface Area | 194.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 524.237 |
| Heavy Atoms | 37 |
| Complexity | 890.79083 |
Chemical Identifiers
| CAS Number | 52401-04-4 |
|---|---|
| SMILES | CC[NH+](CC[NH2+]CCC1(OC2=C(O1)C=CC(=C2)C)C)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1052685 (CAS 52401-04-4), with molecular formula C25H36N2O10 and molecular weight 524.24 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1052685
Property Insights of RefChem:1052685
The XLogP value of -2.88518 indicates that RefChem:1052685 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.37 Ų indicates high polarity, suggesting RefChem:1052685 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052685 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:1052685?
The CAS number of RefChem:1052685 is 52401-04-4.
What is the molecular formula of RefChem:1052685?
The molecular formula of RefChem:1052685 is C25H36N2O10.
What is the molecular weight of RefChem:1052685?
The molecular weight of RefChem:1052685 is 524.24 g/mol.
Where can I buy RefChem:1052685?
You can request a quote for RefChem:1052685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052685?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.