RefChem:863477
TL;DR: RefChem:863477 (CAS 65060-32-4) is a chemical compound with molecular formula C45H90N2O8S and molecular weight 818.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate;methyl sulfate
Also Known As: 1-[2-(heptadecanoyloxy)ethyl]-1-methyl-4-[2-(octadecanoyloxy)ethyl]piperazin-1-ium methylsulfate, Piperazinium, 1-methyl-1,4-bis(2-(stearoyloxy)ethyl)-, methyl sulfate, 1-Methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]piperazinium methyl sulfate, Piperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate, Piperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)
| Molecular Formula | C45H90N2O8S |
|---|---|
| Molecular Weight | 818.64 g/mol |
| LogP | 11.06 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 39 |
| Exact Mass | 818.6418 |
| Heavy Atoms | 56 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 65060-32-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | XKYWUTBVNFOCBP-UHFFFAOYSA-M |
Product Overview
RefChem:863477 (CAS 65060-32-4), with molecular formula C45H90N2O8S and molecular weight 818.64 g/mol. IUPAC: 2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate;methyl sulfate.
Chemical Property Profile of RefChem:863477
Property Insights of RefChem:863477
The XLogP value of 11.06 indicates that RefChem:863477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:863477. Following Lipinski's Rule of Five, RefChem:863477 has 0 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:863477?
The CAS number of RefChem:863477 is 65060-32-4.
What is the molecular formula of RefChem:863477?
The molecular formula of RefChem:863477 is C45H90N2O8S.
What is the molecular weight of RefChem:863477?
The molecular weight of RefChem:863477 is 818.64 g/mol.
Where can I buy RefChem:863477?
You can request a quote for RefChem:863477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:863477?
Yes, KEHONG BIO provides custom synthesis services for RefChem:863477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.