3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-
TL;DR: 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- (CAS 107658-92-4) is a chemical compound with molecular formula C15H18ClN3O2 and molecular weight 307.10876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)hexan-3-one
Also Known As: 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)hexan-3-one, 2-(4-Chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)hexan-3-one, 2-(4-Chloro-phenyl)-2-hydroxy-5-methyl-1-[1,2,4]triazol-1-yl-hexan-3-one; compound with oxalic acid
Technical Specifications
| Molecular Formula | C15H18ClN3O2 |
| Molecular Weight | 307.10876 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.10876 Da |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
| SMILES | CC(C)CC(=O)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O |
| InChIKey | GBNPBJXSBYHRAL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-
Property Insights of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- is 107658-92-4.
What is the molecular formula of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- is C15H18ClN3O2.
What is the molecular weight of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- is 307.10876 g/mol.
Where can I buy 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.