RefChem:438456
TL;DR: RefChem:438456 (CAS 67874-08-2) is a chemical compound with molecular formula C53H105N4O5S+ and molecular weight 909.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-[2-(2-henicosyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]docosanamide;methyl sulfate
Also Known As: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-2-heneicosyl-4,5-dihydro-1-methyl-, methyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-2-heneicosyl-4,5-dihydro-1-methyl-, methyl sulfate (1:1), 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-2-heneicosyl-4,5-dihydro-1-methyl-, methyl sulfate, 1-(2-((2-Cyanoethyl)(1-oxodocosyl)amino)ethyl)-2-henicosyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate, 1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-2-henicosyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate
| Molecular Formula | C53H105N4O5S+ |
|---|---|
| Molecular Weight | 909.78 g/mol |
| LogP | 13.40478 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 45 |
| Exact Mass | 909.7806 |
| Heavy Atoms | 63 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 67874-08-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | ZFYBAYJOZWMKNE-UHFFFAOYSA-N |
Product Overview
RefChem:438456 (CAS 67874-08-2), with molecular formula C53H105N4O5S+ and molecular weight 909.78 g/mol. IUPAC: N-(2-cyanoethyl)-N-[2-(2-henicosyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]docosanamide;methyl sulfate.
Chemical Property Profile of RefChem:438456
Property Insights of RefChem:438456
The XLogP value of 13.40478 indicates that RefChem:438456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438456. Following Lipinski's Rule of Five, RefChem:438456 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:438456?
The CAS number of RefChem:438456 is 67874-08-2.
What is the molecular formula of RefChem:438456?
The molecular formula of RefChem:438456 is C53H105N4O5S+.
What is the molecular weight of RefChem:438456?
The molecular weight of RefChem:438456 is 909.78 g/mol.
Where can I buy RefChem:438456?
You can request a quote for RefChem:438456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438456?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.