RefChem:79773
TL;DR: RefChem:79773 (CAS 67953-34-8) is a chemical compound with molecular formula C46H91N5O2 and molecular weight 745.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)-N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]ethanamine
Also Known As: Bis(beta-(2-heptadecyl-1-imidazolinyl)ethyl)ammonium acetate, 1H-Imidazole-1-ethanamine, 2-heptadecyl-N-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-, acetate (1:1), 1H-Imidazole-1-ethanamine, 2-heptadecyl-N-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-, monoacetate, 1H-Imidazole-1-ethanamine, 2-heptadecyl-N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-4,5-dihydro-, monoacetate, 1h-imidazole-1-ethanamine, 2-heptadecyl-n-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethyl]-4,5-dihydro-, acetate(1:1)
| Molecular Formula | C46H91N5O2 |
|---|---|
| Molecular Weight | 745.72 g/mol |
| LogP | 12.62 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 38 |
| Exact Mass | 745.7173 |
| Heavy Atoms | 53 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 67953-34-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN2CCN=C2CCCCCCCCCCCCCCCCC.CC(=O)O |
| InChIKey | NOLKLMPJBCKJEH-UHFFFAOYSA-N |
Product Overview
RefChem:79773 (CAS 67953-34-8), with molecular formula C46H91N5O2 and molecular weight 745.72 g/mol. IUPAC: acetic acid;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)-N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]ethanamine.
Chemical Property Profile of RefChem:79773
Property Insights of RefChem:79773
The XLogP value of 12.62 indicates that RefChem:79773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79773. Following Lipinski's Rule of Five, RefChem:79773 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79773?
The CAS number of RefChem:79773 is 67953-34-8.
What is the molecular formula of RefChem:79773?
The molecular formula of RefChem:79773 is C46H91N5O2.
What is the molecular weight of RefChem:79773?
The molecular weight of RefChem:79773 is 745.72 g/mol.
Where can I buy RefChem:79773?
You can request a quote for RefChem:79773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.