RefChem:77069
TL;DR: RefChem:77069 (CAS 68938-74-9) is a chemical compound with molecular formula C19H44Cl2N2O3 and molecular weight 418.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-ethylpentoxy)-2-[2-hydroxy-3-(trimethylazaniumyl)propoxy]propyl]-trimethylazanium dichloride
Also Known As: 1-Trimethylammonium-3-(1-trimethylammoniummethyl-2-(2-ethylamyloxy)ethoxy)-2-propanol, dichloride, 1-Propanaminium, 3-((2-ethylpentyl)oxy)-2-(2-hydroxy-3-(trimethylammonio)propoxy)-N,N,N-trimethyl-, dichloride, 1-Propanaminium, 3-((2-ethylpentyl)oxy)-2-(2-hydroxy-3-(trimethylammonio)propoxy)-N,N,N-trimethyl-, chloride (1:2), 1-Propanaminium, 3-[(2-ethylpentyl)oxy]-2-[2-hydroxy-3-(trimethylammonio)propoxy]-N,N,N-trimethyl-, chloride (1:2), 1-Propanaminium, 3-[(2-ethylpentyl)oxy]-2-[2-hydroxy-3-(trimethylammonio)propoxy]-N,N,N-trimethyl-, dichloride
| Molecular Formula | C19H44Cl2N2O3 |
|---|---|
| Molecular Weight | 418.27 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 418.2729 |
| Heavy Atoms | 26 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 68938-74-9 |
|---|---|
| SMILES | CCCC(CC)COCC(C[N+](C)(C)C)OCC(C[N+](C)(C)C)O.[Cl-].[Cl-] |
| InChIKey | DWTODKCREMROMB-UHFFFAOYSA-L |
Product Overview
RefChem:77069 (CAS 68938-74-9), with molecular formula C19H44Cl2N2O3 and molecular weight 418.27 g/mol. IUPAC: [3-(2-ethylpentoxy)-2-[2-hydroxy-3-(trimethylazaniumyl)propoxy]propyl]-trimethylazanium dichloride.
Chemical Property Profile of RefChem:77069
Property Insights of RefChem:77069
The XLogP value of -4.0 indicates that RefChem:77069 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, RefChem:77069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77069 has 1 hydrogen bond donor(s) and 5 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:77069?
The CAS number of RefChem:77069 is 68938-74-9.
What is the molecular formula of RefChem:77069?
The molecular formula of RefChem:77069 is C19H44Cl2N2O3.
What is the molecular weight of RefChem:77069?
The molecular weight of RefChem:77069 is 418.27 g/mol.
Where can I buy RefChem:77069?
You can request a quote for RefChem:77069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77069?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.