RefChem:328551
TL;DR: RefChem:328551 (CAS 42739-92-4) is a chemical compound with molecular formula C26H44Cl3N3O3 and molecular weight 551.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,3-bis[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium trichloride
Also Known As: Benzyl alcohol, 4-(2-(dimethylamino)ethoxy)-alpha-(4-(2-(dimethylamino)ethoxy)phenyl)-alpha-(2-(dimethylamino)-1-methylethyl)-, trihydrochloride, [3,3-bis[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium trichloride, BENZYL ALCOHOL, 4-(2-(DIMETHYLAMINO)ETHOXY)-alpha-(4-(2-(DIMETHYLAMINO)ETHOXY)PH, RefChem:328551
| Molecular Formula | C26H44Cl3N3O3 |
|---|---|
| Molecular Weight | 551.24 g/mol |
| LogP | -10.24 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 551.2448 |
| Heavy Atoms | 35 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 42739-92-4 |
|---|---|
| SMILES | CC(C[NH+](C)C)C(C1=CC=C(C=C1)OCC[NH+](C)C)(C2=CC=C(C=C2)OCC[NH+](C)C)O.[Cl-].[Cl-].[Cl-] |
| InChIKey | LVJBCKCOZVCOSD-UHFFFAOYSA-N |
Product Overview
RefChem:328551 (CAS 42739-92-4), with molecular formula C26H44Cl3N3O3 and molecular weight 551.24 g/mol. IUPAC: [3,3-bis[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium trichloride.
Chemical Property Profile of RefChem:328551
Property Insights of RefChem:328551
The XLogP value of -10.24 indicates that RefChem:328551 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:328551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:328551 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:328551?
The CAS number of RefChem:328551 is 42739-92-4.
What is the molecular formula of RefChem:328551?
The molecular formula of RefChem:328551 is C26H44Cl3N3O3.
What is the molecular weight of RefChem:328551?
The molecular weight of RefChem:328551 is 551.24 g/mol.
Where can I buy RefChem:328551?
You can request a quote for RefChem:328551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328551?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.