EINECS 261-315-9
TL;DR: EINECS 261-315-9 (CAS 58536-82-6) is a chemical compound with molecular formula C47H86ClN3O and molecular weight 743.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide chloride
Also Known As: EINECS 261-315-9, 1-Benzyl-2-heptadecyl-4,5-dihydro-1-(2-((1-oxooctadecyl)amino)ethyl)-1-H-imidazolium chloride, N-[2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide chloride, 1-benzyl-2-heptadecyl-4,5-dihydro-1-[2-[(1-oxooctadecyl)amino]ethyl]-1-H-imidazolium chloride, 1H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-[2-[(1-oxooctadecyl)amino]ethyl]-1-(phenylmethyl)-, chloride
| Molecular Formula | C47H86ClN3O |
|---|---|
| Molecular Weight | 743.65 g/mol |
| LogP | 11.0587 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 37 |
| Exact Mass | 743.64594 |
| Heavy Atoms | 52 |
| Complexity | 953.2188 |
Chemical Identifiers
| CAS Number | 58536-82-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-] |
Product Overview
EINECS 261-315-9 (CAS 58536-82-6), with molecular formula C47H86ClN3O and molecular weight 743.65 g/mol. IUPAC: N-[2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide chloride.
Chemical Property Profile of EINECS 261-315-9
Property Insights of EINECS 261-315-9
The XLogP value of 11.0587 indicates that EINECS 261-315-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, EINECS 261-315-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 261-315-9 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 261-315-9?
The CAS number of EINECS 261-315-9 is 58536-82-6.
What is the molecular formula of EINECS 261-315-9?
The molecular formula of EINECS 261-315-9 is C47H86ClN3O.
What is the molecular weight of EINECS 261-315-9?
The molecular weight of EINECS 261-315-9 is 743.65 g/mol.
Where can I buy EINECS 261-315-9?
You can request a quote for EINECS 261-315-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-315-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-315-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.