1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓
TL;DR: 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 (CAS 18390-00-6) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓
1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
Also Known As: ptio, 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium, 2-Phenyl-4,4,5,5-tetra- methylimidazoline-1-oxyl-3-oxide, 2-Phenyl-4,4,5,5-tetra-methylimidazoline-1-oxyl-3-oxide, 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 18390-00-6 |
|---|---|
| SMILES | CC1(C([N+](=C(N1O)C2=CC=CC=C2)[O-])(C)C)C |
| InChIKey | MOKUQZKKYGQOCZ-UHFFFAOYSA-N |
Product Overview
1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 (CAS 18390-00-6), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium.
Chemical Property Profile of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓
Property Insights of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓. With a topological polar surface area (TPSA) of 52.2 Ų, 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 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-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓?
The CAS number of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 is 18390-00-6.
What is the molecular formula of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓?
The molecular formula of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 is C13H18N2O2.
What is the molecular weight of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓?
The molecular weight of 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 is 234.14 g/mol.
Where can I buy 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓?
You can request a quote for 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓?
Yes, KEHONG BIO provides custom synthesis services for 1-羟基-4,4,5,5-四甲基-3-氧代-2-苯基咪唑-3-鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.