RefChem:79814
TL;DR: RefChem:79814 (CAS 65350-78-9) is a chemical compound with molecular formula C42H81N3O3 and molecular weight 675.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]acetate
Also Known As: 2-Heptadecyl-1-(carboxymethyl)-1-(2-(stearoylamido)ethyl)-2-imidazolinium hydroxide, 1H-Imidazolium, 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-((1-oxooctadecyl)amino)ethyl)-, inner salt, 1H-Imidazolium, 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-[2-[(1-oxooctadecyl)amino]ethyl]-, inner salt, 1-(carboxylatomethyl)-2-heptadecyl-1-(2-octadecanamidoethyl)-4,5-dihydro-1H-imidazol-1-ium, 2-(2-Heptadecyl-1-(2-stearamidoethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl)acetate
| Molecular Formula | C42H81N3O3 |
|---|---|
| Molecular Weight | 675.63 g/mol |
| LogP | 10.6044 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 37 |
| Exact Mass | 675.6278 |
| Heavy Atoms | 48 |
| Complexity | 786.09106 |
Chemical Identifiers
| CAS Number | 65350-78-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC(=O)[O-] |
Product Overview
RefChem:79814 (CAS 65350-78-9), with molecular formula C42H81N3O3 and molecular weight 675.63 g/mol. IUPAC: 2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]acetate.
Chemical Property Profile of RefChem:79814
Property Insights of RefChem:79814
The XLogP value of 10.6044 indicates that RefChem:79814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79814. Following Lipinski's Rule of Five, RefChem:79814 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79814?
The CAS number of RefChem:79814 is 65350-78-9.
What is the molecular formula of RefChem:79814?
The molecular formula of RefChem:79814 is C42H81N3O3.
What is the molecular weight of RefChem:79814?
The molecular weight of RefChem:79814 is 675.63 g/mol.
Where can I buy RefChem:79814?
You can request a quote for RefChem:79814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.