RefChem:138104
TL;DR: RefChem:138104 (CAS 13441-22-0) is a chemical compound with molecular formula C46H94N2O9S and molecular weight 850.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate
Also Known As: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt), 2-hydroxy-n-{2-[(2-hydroxyethyl)(octadecanoyl)amino]ethyl}-n-methyl-n-[2-(octadecanoyloxy)ethyl]ethanaminium methyl sulfate, 2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate, Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1), Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)
| Molecular Formula | C46H94N2O9S |
|---|---|
| Molecular Weight | 850.67 g/mol |
| LogP | 10.41 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 43 |
| Exact Mass | 850.668 |
| Heavy Atoms | 58 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 13441-22-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-] |
| InChIKey | LWMWHBRMDHVVHW-UHFFFAOYSA-M |
Product Overview
RefChem:138104 (CAS 13441-22-0), with molecular formula C46H94N2O9S and molecular weight 850.67 g/mol. IUPAC: 2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate.
Chemical Property Profile of RefChem:138104
Property Insights of RefChem:138104
The XLogP value of 10.41 indicates that RefChem:138104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:138104 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138104 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138104?
The CAS number of RefChem:138104 is 13441-22-0.
What is the molecular formula of RefChem:138104?
The molecular formula of RefChem:138104 is C46H94N2O9S.
What is the molecular weight of RefChem:138104?
The molecular weight of RefChem:138104 is 850.67 g/mol.
Where can I buy RefChem:138104?
You can request a quote for RefChem:138104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138104?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.