1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium
TL;DR: 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium (CAS 41933-67-9) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium
Also Known As: 1-hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium, 3-hydroxy-4,5-dimethyl-1-oxido-2-propyl-imidazole, 4,5-Dimethyl-1-hydroxy-2-n-propylimidazole-3-oxide, 4,5-Dimethyl-3-oxo-2-propyl-1H-3lambda~5~-imidazol-1-ol
| Molecular Formula | C8H14N2O2 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.10553 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 41933-67-9 |
|---|---|
| SMILES | CCCC1=[N+](C(=C(N1O)C)C)[O-] |
| InChIKey | XZPJEPRTKUZNED-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium (CAS 41933-67-9), with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol. IUPAC: 1-hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium.
Chemical Property Profile of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium
Property Insights of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium. With a topological polar surface area (TPSA) of 50.6 Ų, 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium has 1 hydrogen bond donor(s) and 2 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 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium?
The CAS number of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium is 41933-67-9.
What is the molecular formula of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium?
The molecular formula of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium is C8H14N2O2.
What is the molecular weight of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium?
The molecular weight of 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium is 170.11 g/mol.
Where can I buy 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium?
You can request a quote for 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4,5-dimethyl-3-oxido-2-propylimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.