RefChem:167590
TL;DR: RefChem:167590 (CAS 68025-17-2) is a chemical compound with molecular formula C49H96N4O8 and molecular weight 868.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide
Also Known As: Octadecanamide, N-(2-cyanoethyl)-N-(2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, triacetate, Octadecanamide, N-(2-cyanoethyl)-N-(2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, acetate (1:3), Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-, triacetate, acetic acid; N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide, Acetic acid--N-(2-cyanoethyl)-N-{2-[(2-octadecanamidoethyl)amino]ethyl}octadecanamide (3/1)
| Molecular Formula | C49H96N4O8 |
|---|---|
| Molecular Weight | 868.72 g/mol |
| LogP | 12.23 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 40 |
| Exact Mass | 868.72284 |
| Heavy Atoms | 61 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 68025-17-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O.CC(=O)O |
| InChIKey | IJWKALPHMJUICB-UHFFFAOYSA-N |
Product Overview
RefChem:167590 (CAS 68025-17-2), with molecular formula C49H96N4O8 and molecular weight 868.72 g/mol. IUPAC: acetic acid;N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide.
Chemical Property Profile of RefChem:167590
Property Insights of RefChem:167590
The XLogP value of 12.23 indicates that RefChem:167590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:167590 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167590 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167590?
The CAS number of RefChem:167590 is 68025-17-2.
What is the molecular formula of RefChem:167590?
The molecular formula of RefChem:167590 is C49H96N4O8.
What is the molecular weight of RefChem:167590?
The molecular weight of RefChem:167590 is 868.72 g/mol.
Where can I buy RefChem:167590?
You can request a quote for RefChem:167590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.