RefChem:72922
TL;DR: RefChem:72922 (CAS 50744-87-1) is a chemical compound with molecular formula C31H68Cl2N2O and molecular weight 554.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl-[3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazanium dichloride
Also Known As: bis[dodecyldimethylammonium]dichloride, 1,3-Propanediaminium, N,N'-didodecyl-2-hydroxy-N,N,N',N'-tetramethyl-, dichloride, 1,3-Propanediaminium, N1,N3-didodecyl-2-hydroxy-N1,N1,N3,N3-tetramethyl-, chloride (1:2), (2-Hydroxytrimethylene)bis(dodecyldimethylammonium) dichloride, (2-Hydroxytrimethylene)bis[dodecyldimethylammonium] dichloride
| Molecular Formula | C31H68Cl2N2O |
|---|---|
| Molecular Weight | 554.47 g/mol |
| LogP | 2.3499 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 26 |
| Exact Mass | 554.4709 |
| Heavy Atoms | 36 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 50744-87-1 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC(C[N+](C)(C)CCCCCCCCCCCC)O.[Cl-].[Cl-] |
| InChIKey | QBJONSOVMCQLOK-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:72922 (CAS 50744-87-1), with molecular formula C31H68Cl2N2O and molecular weight 554.47 g/mol. IUPAC: dodecyl-[3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:72922
Property Insights of RefChem:72922
The XLogP value of 2.3499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:72922. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:72922 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:72922 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72922?
The CAS number of RefChem:72922 is 50744-87-1.
What is the molecular formula of RefChem:72922?
The molecular formula of RefChem:72922 is C31H68Cl2N2O.
What is the molecular weight of RefChem:72922?
The molecular weight of RefChem:72922 is 554.47 g/mol.
Where can I buy RefChem:72922?
You can request a quote for RefChem:72922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72922?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.