1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate
TL;DR: 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate (CAS 52400-82-5) is a chemical compound with molecular formula C23H32N2O10 and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(2-methyl-1,3-benzodioxol-2-yl)methylazaniumyl]ethyl]azanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: 2-(2-(Diethylamino)ethylaminomethyl)-2-methyl-1,3-benzodioxole dimaleate, 1,3-BENZODIOXOLE, 2-(2-(DIETHYLAMINO)ETHYLAMINOMETHYL)-2-METHYL-, DIMALEATE, 1,2-Ethanediamine, N,N-diethyl-N'-[(2-methyl-1,3-benzodioxol-2-yl)methyl]-, (Z)-2-butenedioate (1:2), diethyl-[2-[(2-methyl-1,3-benzodioxol-2-yl)methylazaniumyl]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1052690
| Molecular Formula | C23H32N2O10 |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | -3.5837 |
| Topological Polar Surface Area | 194.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.2057 |
| Heavy Atoms | 35 |
| Complexity | 803.04315 |
Chemical Identifiers
| CAS Number | 52400-82-5 |
|---|---|
| SMILES | CC[NH+](CC[NH2+]CC1(OC2=CC=CC=C2O1)C)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate (CAS 52400-82-5), with molecular formula C23H32N2O10 and molecular weight 496.21 g/mol. IUPAC: diethyl-[2-[(2-methyl-1,3-benzodioxol-2-yl)methylazaniumyl]ethyl]azanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate
Property Insights of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate
The XLogP value of -3.5837 indicates that 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.37 Ų indicates high polarity, suggesting 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate?
The CAS number of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate is 52400-82-5.
What is the molecular formula of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate?
The molecular formula of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate is C23H32N2O10.
What is the molecular weight of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate?
The molecular weight of 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate is 496.21 g/mol.
Where can I buy 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate?
You can request a quote for 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-(2-(diethylamino)ethylaminomethyl)-2-methyl-, dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.