RefChem:217846
TL;DR: RefChem:217846 (CAS 52400-61-0) is a chemical compound with molecular formula C14H24Cl2N2O2 and molecular weight 322.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium dichloride
Also Known As: 1,3-Benzodioxole, 2-(2-(2-(dimethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride, 2-(2-(2-(Dimethylamino)ethylamino)ethyl)-2-methyl-1,3-benzodioxole dihydrochloride, 2-(Dimethylazaniumyl)ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium dichloride, dimethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium dichloride, 1,2-Ethanediamine, N,N-dimethyl-N'-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-, dihydrochloride
Technical Specifications
| Molecular Formula | C14H24Cl2N2O2 |
| Molecular Weight | 322.1215 g/mol |
| XLogP | -6.72 |
| Topological Polar Surface Area (TPSA) | 39.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1215 Da |
| Heavy Atoms | 20 |
| Complexity | 244.0 |
| SMILES | CC1(OC2=CC=CC=C2O1)CC[NH2+]CC[NH+](C)C.[Cl-].[Cl-] |
| InChIKey | VLMFACWRYMEGRD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:217846
Property Insights of RefChem:217846
The XLogP value of -6.72 indicates that RefChem:217846 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.5 Ų, RefChem:217846 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217846 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:217846?
The CAS number of RefChem:217846 is 52400-61-0.
What is the molecular formula of RefChem:217846?
The molecular formula of RefChem:217846 is C14H24Cl2N2O2.
What is the molecular weight of RefChem:217846?
The molecular weight of RefChem:217846 is 322.1215 g/mol.
Where can I buy RefChem:217846?
You can request a quote for RefChem:217846 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:217846?
Yes, CoreyChem provides custom synthesis services for RefChem:217846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.