RefChem:72077
TL;DR: RefChem:72077 (CAS 68479-76-5) is a chemical compound with molecular formula C12H28Cl4N2O2 and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-[2-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]ethyl]-dimethylazanium dichloride
Also Known As: 1,2-Ethanediaminium, N,N'-bis(3-chloro-2-hydroxypropyl)-N,N,N',N'-tetramethyl-, dichloride, Ethylenebis((3-chloro-2-hydroxypropyl)dimethylammonium) dichloride, 1,2-Ethanediaminium, N1,N2-bis(3-chloro-2-hydroxypropyl)-N1,N1,N2,N2-tetramethyl-, chloride (1:2), Ethylenebis[(3-chloro-2-hydroxypropyl)dimethylammonium] dichloride, N,N'-Bis(3-chloro-2-hydroxypropyl)-N,N,N',N'-tetramethylethylenediammonium, dichloride
| Molecular Formula | C12H28Cl4N2O2 |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | -5.65 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.08752 |
| Heavy Atoms | 20 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 68479-76-5 |
|---|---|
| SMILES | C[N+](C)(CC[N+](C)(C)CC(CCl)O)CC(CCl)O.[Cl-].[Cl-] |
| InChIKey | JPSXYQIMVIXJET-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:72077 (CAS 68479-76-5), with molecular formula C12H28Cl4N2O2 and molecular weight 372.09 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-[2-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]ethyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:72077
Property Insights of RefChem:72077
The XLogP value of -5.65 indicates that RefChem:72077 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:72077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:72077 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
Frequently Asked Questions
What is the CAS number of RefChem:72077?
The CAS number of RefChem:72077 is 68479-76-5.
What is the molecular formula of RefChem:72077?
The molecular formula of RefChem:72077 is C12H28Cl4N2O2.
What is the molecular weight of RefChem:72077?
The molecular weight of RefChem:72077 is 372.09 g/mol.
Where can I buy RefChem:72077?
You can request a quote for RefChem:72077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72077?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.