RefChem:217869
TL;DR: RefChem:217869 (CAS 52400-80-3) is a chemical compound with molecular formula C16H26Br2Cl2N2O2 and molecular weight 505.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride
Also Known As: 1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride, 2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride, 1,3-BENZODIOXOLE, 5,6-DIBROMO-2-(2-(2-(DIETHYLAMINO)ETHYLAMINO)ETHYL)-2-METHYL-,, 1,2-Ethanediamine, N'-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethyl]-N,N-diethyl-, dihydrochloride, RefChem:217869
| Molecular Formula | C16H26Br2Cl2N2O2 |
|---|---|
| Molecular Weight | 505.97 g/mol |
| LogP | -4.41 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.97177 |
| Heavy Atoms | 24 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 52400-80-3 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH2+]CCC1(OC2=CC(=C(C=C2O1)Br)Br)C.[Cl-].[Cl-] |
| InChIKey | DCCDACQUSKIVNL-UHFFFAOYSA-N |
Product Overview
RefChem:217869 (CAS 52400-80-3), with molecular formula C16H26Br2Cl2N2O2 and molecular weight 505.97 g/mol. IUPAC: 2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:217869
Property Insights of RefChem:217869
The XLogP value of -4.41 indicates that RefChem:217869 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:217869 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217869 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:217869?
The CAS number of RefChem:217869 is 52400-80-3.
What is the molecular formula of RefChem:217869?
The molecular formula of RefChem:217869 is C16H26Br2Cl2N2O2.
What is the molecular weight of RefChem:217869?
The molecular weight of RefChem:217869 is 505.97 g/mol.
Where can I buy RefChem:217869?
You can request a quote for RefChem:217869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.