2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate
TL;DR: 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate (CAS 68083-45-4) is a chemical compound with molecular formula C28H51N3O7 and molecular weight 541.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate, 1-(2-Aminoethyl)-2-(8-heptadecenyl)-2-imidazoline, monocitrate, 1H-Imidazole-1-ethanamine, 2-(8-heptadecenyl)-4,5-dihydro-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-[2-(heptadec-8-en-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethan-1-amine (1/1)
| Molecular Formula | C28H51N3O7 |
|---|---|
| Molecular Weight | 541.37 g/mol |
| LogP | 4.45 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 541.3727 |
| Heavy Atoms | 38 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 68083-45-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC1=NCCN1CCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | TXNMYADEYJLEJS-UHFFFAOYSA-N |
Product Overview
2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate (CAS 68083-45-4), with molecular formula C28H51N3O7 and molecular weight 541.37 g/mol. IUPAC: 2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate
Property Insights of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate
The XLogP value of 4.45 indicates that 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate?
The CAS number of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate is 68083-45-4.
What is the molecular formula of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate?
The molecular formula of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate is C28H51N3O7.
What is the molecular weight of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate?
The molecular weight of 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate is 541.37 g/mol.
Where can I buy 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate?
You can request a quote for 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadec-8-enyl-4,5-dihydro-1H-imidazole-1-ethylamine monocitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.