RefChem:167594
TL;DR: RefChem:167594 (CAS 68214-50-6) is a chemical compound with molecular formula C48H95N5O6 and molecular weight 837.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-[2-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-octadecanoylamino]ethyl]amino]ethyl]octadecanamide
Also Known As: n-n-[2-[[2- ethyl]amino]ethyl]stearamidemonoacetate, N- -N-[2-[ [2- ethyl]amino]ethyl]stearamidemonoacetate, Octadecanamide, N-(3-amino-3-oxopropyl)-N-(2-((3-amino-3-oxopropyl)(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, monoacetate, N-(2-Carbamoylethyl)-N,N'-((2-carbamoylethyl)iminodiethylene)bis(octadecanamide), acetate, Octadecanamide, N-(3-amino-3-oxopropyl)-N-(2-((3-amino-3-oxopropyl)(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, acetate (1:1)
| Molecular Formula | C48H95N5O6 |
|---|---|
| Molecular Weight | 837.73 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 44 |
| Exact Mass | 837.7282 |
| Heavy Atoms | 59 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 68214-50-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC(=O)N)CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O |
| InChIKey | OVXAKYQEBSPMPU-UHFFFAOYSA-N |
Product Overview
RefChem:167594 (CAS 68214-50-6), with molecular formula C48H95N5O6 and molecular weight 837.73 g/mol. IUPAC: acetic acid;N-[2-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-octadecanoylamino]ethyl]amino]ethyl]octadecanamide.
Chemical Property Profile of RefChem:167594
Property Insights of RefChem:167594
The XLogP value of 10.6 indicates that RefChem:167594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:167594 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167594 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167594?
The CAS number of RefChem:167594 is 68214-50-6.
What is the molecular formula of RefChem:167594?
The molecular formula of RefChem:167594 is C48H95N5O6.
What is the molecular weight of RefChem:167594?
The molecular weight of RefChem:167594 is 837.73 g/mol.
Where can I buy RefChem:167594?
You can request a quote for RefChem:167594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167594?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.