2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate
TL;DR: 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate (CAS 68134-14-5) is a chemical compound with molecular formula C22H47N2O5P and molecular weight 450.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihydrogen phosphate;2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol
Also Known As: 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate, 1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-, phosphate (salt), 1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-, phosphate (1:1) (salt), 1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-, phosphate (1:1), 2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethanol phosphate(1:1)
| Molecular Formula | C22H47N2O5P |
|---|---|
| Molecular Weight | 450.32 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 450.32227 |
| Heavy Atoms | 30 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 68134-14-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=[N+](CCN1)CCO.OP(=O)(O)[O-] |
| InChIKey | HMRPOFXYUBTFNV-UHFFFAOYSA-N |
Product Overview
2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate (CAS 68134-14-5), with molecular formula C22H47N2O5P and molecular weight 450.32 g/mol. IUPAC: dihydrogen phosphate;2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol.
Chemical Property Profile of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate
Property Insights of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate
The XLogP value of 3.69 indicates that 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate. Following Lipinski's Rule of Five, 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate?
The CAS number of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate is 68134-14-5.
What is the molecular formula of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate?
The molecular formula of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate is C22H47N2O5P.
What is the molecular weight of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate?
The molecular weight of 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate is 450.32 g/mol.
Where can I buy 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate?
You can request a quote for 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.