1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate
TL;DR: 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate (CAS 52400-64-3) is a chemical compound with molecular formula C17H23NO6 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-ylazanium
Also Known As: 2-(2-(Isopropylamino)ethyl)-2-methyl-1,3-benzodioxole maleate, 1,3-BENZODIOXOLE, 2-(2-(ISOPROPYLAMINO)ETHYL-2-METHYL-, MALEATE, (Z)-4-hydroxy-4-oxobut-2-enoate; 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-ylazanium, RefChem:1052693
| Molecular Formula | C17H23NO6 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | -0.087 |
| Topological Polar Surface Area | 112.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.15253 |
| Heavy Atoms | 24 |
| Complexity | 555.4985 |
Chemical Identifiers
| CAS Number | 52400-64-3 |
|---|---|
| SMILES | CC(C)[NH2+]CCC1(OC2=CC=CC=C2O1)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate (CAS 52400-64-3), with molecular formula C17H23NO6 and molecular weight 337.15 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-ylazanium.
Chemical Property Profile of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate
Property Insights of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate
The XLogP value of -0.087 indicates that 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate has 2 hydrogen bond donor(s) and 5 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-(isopropylamino)ethyl-2-methyl-, maleate?
The CAS number of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate is 52400-64-3.
What is the molecular formula of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate?
The molecular formula of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate is C17H23NO6.
What is the molecular weight of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate?
The molecular weight of 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate is 337.15 g/mol.
Where can I buy 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate?
You can request a quote for 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate 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-(isopropylamino)ethyl-2-methyl-, maleate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-(2-(isopropylamino)ethyl-2-methyl-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.