RefChem:186646
TL;DR: RefChem:186646 (CAS 68310-26-9) is a chemical compound with molecular formula C36H71N5O5S and molecular weight 685.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]amino]ethyl]docosanamide;diethyl sulfate
Also Known As: Sulfuric acid, diethyl ester, compd. with N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]docosanamide (1:1), diethyl sulfate- n-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}docosanamide(1:1), Sulfuric acid, diethyl ester, compd. with N-(2-((2-cyanoethyl)(2-((2-cyanoethyl)amino)ethyl)amino)ethyl)docosanamide (1:1), N-[2-[2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]amino]ethyl]docosanamide; diethyl sulfate, Diethyl sulfate--N-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}docosanamide (1/1)
| Molecular Formula | C36H71N5O5S |
|---|---|
| Molecular Weight | 685.52 g/mol |
| LogP | 7.95 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 34 |
| Exact Mass | 685.5176 |
| Heavy Atoms | 47 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 68310-26-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNCCC#N.CCOS(=O)(=O)OCC |
| InChIKey | HUVCSHZFONZENL-UHFFFAOYSA-N |
Product Overview
RefChem:186646 (CAS 68310-26-9), with molecular formula C36H71N5O5S and molecular weight 685.52 g/mol. IUPAC: N-[2-[2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]amino]ethyl]docosanamide;diethyl sulfate.
Chemical Property Profile of RefChem:186646
Property Insights of RefChem:186646
The XLogP value of 7.95 indicates that RefChem:186646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting RefChem:186646 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:186646 has 2 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:186646?
The CAS number of RefChem:186646 is 68310-26-9.
What is the molecular formula of RefChem:186646?
The molecular formula of RefChem:186646 is C36H71N5O5S.
What is the molecular weight of RefChem:186646?
The molecular weight of RefChem:186646 is 685.52 g/mol.
Where can I buy RefChem:186646?
You can request a quote for RefChem:186646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:186646?
Yes, KEHONG BIO provides custom synthesis services for RefChem:186646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.