RefChem:167587
TL;DR: RefChem:167587 (CAS 68214-48-2) is a chemical compound with molecular formula C33H66N6O6 and molecular weight 642.50 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-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]octadecanamide
Also Known As: Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, monoacetate, Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1), Octadecanamide, N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, acetate (1:1), octadecanamide, n-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, acetate(1:1), Octadecanamide, N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, monoacetate
| Molecular Formula | C33H66N6O6 |
|---|---|
| Molecular Weight | 642.50 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 31 |
| Exact Mass | 642.5044 |
| Heavy Atoms | 45 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 68214-48-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC(=O)N)CCN(CCC(=O)N)CCC(=O)N.CC(=O)O |
| InChIKey | VFFMBHXEAASUMC-UHFFFAOYSA-N |
Product Overview
RefChem:167587 (CAS 68214-48-2), with molecular formula C33H66N6O6 and molecular weight 642.50 g/mol. IUPAC: acetic acid;N-[2-[(3-amino-3-oxopropyl)-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]octadecanamide.
Chemical Property Profile of RefChem:167587
Property Insights of RefChem:167587
The XLogP value of 3.69 indicates that RefChem:167587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting RefChem:167587 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167587 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167587?
The CAS number of RefChem:167587 is 68214-48-2.
What is the molecular formula of RefChem:167587?
The molecular formula of RefChem:167587 is C33H66N6O6.
What is the molecular weight of RefChem:167587?
The molecular weight of RefChem:167587 is 642.50 g/mol.
Where can I buy RefChem:167587?
You can request a quote for RefChem:167587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.