2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
TL;DR: 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide (CAS 64934-83-4) is a chemical compound with molecular formula C8H16N2O and molecular weight 156.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,5,5-pentamethyl-3-oxido-1H-imidazol-3-ium
Also Known As: 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide, 2,2,4,5,5-pentamethyl-3-oxido-1H-imidazol-3-ium, 2,2,4,5,5-Pentamethyl-3-imidazolin-3-oxid, 2,2,4,5,5-Pentamethyl-3-imidazoline 3-oxide, 2,2,4,5,5-Pentamethyl-2,5-dihydro-1H-imidazole 3-oxide
| Molecular Formula | C8H16N2O |
|---|---|
| Molecular Weight | 156.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.12627 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 64934-83-4 |
|---|---|
| SMILES | CC1=[N+](C(NC1(C)C)(C)C)[O-] |
| InChIKey | GMIPCEOKROIPSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide (CAS 64934-83-4), with molecular formula C8H16N2O and molecular weight 156.13 g/mol. IUPAC: 2,2,4,5,5-pentamethyl-3-oxido-1H-imidazol-3-ium.
Chemical Property Profile of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
Property Insights of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide. With a topological polar surface area (TPSA) of 40.8 Ų, 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide 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 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide?
The CAS number of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide is 64934-83-4.
What is the molecular formula of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide?
The molecular formula of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide is C8H16N2O.
What is the molecular weight of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide?
The molecular weight of 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide is 156.13 g/mol.
Where can I buy 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide?
You can request a quote for 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.