1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride
TL;DR: 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride (CAS 111076-92-7) is a chemical compound with molecular formula C24H40ClN3O and molecular weight 421.28598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenylpropan-1-one chloride
Also Known As: NKI 42008, 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride, 2-(4-dodecyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)-2-methyl-1-phenylpropan-1-one chloride, 2-(4-dodecyl-2,4-diaza-1-azoniacyclopent-2-en-1-yl)-2-methyl-1-phenyl-propan-1-one Chloride
Technical Specifications
| Molecular Formula | C24H40ClN3O |
| Molecular Weight | 421.28598 g/mol |
| XLogP | 1.6741 |
| Topological Polar Surface Area (TPSA) | 37.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 421.28598 Da |
| Heavy Atoms | 29 |
| Complexity | 468.0 |
| SMILES | CCCCCCCCCCCCN1C[NH+](N=C1)C(C)(C)C(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | WBNWZQGTXGXQQQ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride
Property Insights of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride
The XLogP value of 1.6741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride. With a topological polar surface area (TPSA) of 37.1 Ų, 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride?
The CAS number of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride is 111076-92-7.
What is the molecular formula of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride?
The molecular formula of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride is C24H40ClN3O.
What is the molecular weight of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride?
The molecular weight of 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride is 421.28598 g/mol.
Where can I buy 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride?
You can request a quote for 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.