RefChem:167629
TL;DR: RefChem:167629 (CAS 68134-27-0) is a chemical compound with molecular formula C42H82N2O4 and molecular weight 678.63 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)ethyl octadecanoate
Also Known As: 1-(2-Stearoyloxyethyl)-2-heptadecylimidazoline acetate, 1-(2-Stearoyloxyethyl)-2-heptadecylimidazoline, acetate, 2-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl stearate, monoacetate, Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, acetate (1:1), acetic acid; 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
| Molecular Formula | C42H82N2O4 |
|---|---|
| Molecular Weight | 678.63 g/mol |
| LogP | 12.86 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 678.62744 |
| Heavy Atoms | 48 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 68134-27-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCCN1CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O |
| InChIKey | LDONWRHKSXDXNH-UHFFFAOYSA-N |
Product Overview
RefChem:167629 (CAS 68134-27-0), with molecular formula C42H82N2O4 and molecular weight 678.63 g/mol. IUPAC: acetic acid;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate.
Chemical Property Profile of RefChem:167629
Property Insights of RefChem:167629
The XLogP value of 12.86 indicates that RefChem:167629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:167629. Following Lipinski's Rule of Five, RefChem:167629 has 1 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:167629?
The CAS number of RefChem:167629 is 68134-27-0.
What is the molecular formula of RefChem:167629?
The molecular formula of RefChem:167629 is C42H82N2O4.
What is the molecular weight of RefChem:167629?
The molecular weight of RefChem:167629 is 678.63 g/mol.
Where can I buy RefChem:167629?
You can request a quote for RefChem:167629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.