RefChem:138102
TL;DR: RefChem:138102 (CAS 65060-08-4) is a chemical compound with molecular formula C46H95N3O10S and molecular weight 881.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate
Also Known As: (2-Hydroxyethyl)(2-((2-hydroxyethyl)(palmitoyl)amino)ethyl)(2-((2-hydroxyethyl)(2-(palmitoyloxy)ethyl)amino)ethyl)methylammonium methyl sulphate, Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (1:1), Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (salt), [2-[ amino]ethyl][2-[ [2- ethyl]amino]ethyl]methylammoniummethylsulphate, 2-hydroxy-n-{2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl}-n-(2-{(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino}ethyl)-n-methylethanaminium methyl sulfate
| Molecular Formula | C46H95N3O10S |
|---|---|
| Molecular Weight | 881.67 g/mol |
| LogP | 8.14 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 44 |
| Exact Mass | 881.6738 |
| Heavy Atoms | 60 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 65060-08-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO.COS(=O)(=O)[O-] |
| InChIKey | CMJLIUNBUANLQU-UHFFFAOYSA-M |
Product Overview
RefChem:138102 (CAS 65060-08-4), with molecular formula C46H95N3O10S and molecular weight 881.67 g/mol. IUPAC: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:138102
Property Insights of RefChem:138102
The XLogP value of 8.14 indicates that RefChem:138102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:138102 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138102 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138102?
The CAS number of RefChem:138102 is 65060-08-4.
What is the molecular formula of RefChem:138102?
The molecular formula of RefChem:138102 is C46H95N3O10S.
What is the molecular weight of RefChem:138102?
The molecular weight of RefChem:138102 is 881.67 g/mol.
Where can I buy RefChem:138102?
You can request a quote for RefChem:138102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138102?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.