RefChem:167588
TL;DR: RefChem:167588 (CAS 68959-08-0) is a chemical compound with molecular formula C42H83N3O3 and molecular weight 677.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
Also Known As: N-[2- ethyl]stearamidemonoacetate, N-(2-(Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)octadecanamide, acetic acid salt, Octadecanamide, N-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-, acetate (1:1), Octadecanamide, N-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-, monoacetate, Octadecanamide, N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-, monoacetate
| Molecular Formula | C42H83N3O3 |
|---|---|
| Molecular Weight | 677.64 g/mol |
| LogP | 12.43 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 677.64343 |
| Heavy Atoms | 48 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 68959-08-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O |
| InChIKey | FXLFJBIVODKHBB-UHFFFAOYSA-N |
Product Overview
RefChem:167588 (CAS 68959-08-0), with molecular formula C42H83N3O3 and molecular weight 677.64 g/mol. IUPAC: acetic acid;N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide.
Chemical Property Profile of RefChem:167588
Property Insights of RefChem:167588
The XLogP value of 12.43 indicates that RefChem:167588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:167588. Following Lipinski's Rule of Five, RefChem:167588 has 2 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:167588?
The CAS number of RefChem:167588 is 68959-08-0.
What is the molecular formula of RefChem:167588?
The molecular formula of RefChem:167588 is C42H83N3O3.
What is the molecular weight of RefChem:167588?
The molecular weight of RefChem:167588 is 677.64 g/mol.
Where can I buy RefChem:167588?
You can request a quote for RefChem:167588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.