1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-
TL;DR: 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- (CAS 107659-04-1) is a chemical compound with molecular formula C16H20ClN3O2 and molecular weight 321.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one
Also Known As: 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-, 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one, 1-(4-Chlorophenyl)-2-hydroxy-2-[(1H-1,2,4-triazol-1-yl)methyl]heptan-1-one
Technical Specifications
| Molecular Formula | C16H20ClN3O2 |
| Molecular Weight | 321.1244 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.1244 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | CCCCCC(CN1C=NC=N1)(C(=O)C2=CC=C(C=C2)Cl)O |
| InChIKey | WAUPCDWFAMWPFD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-
Property Insights of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-
The XLogP value of 3.5 indicates that 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-. Following Lipinski's Rule of Five, 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- 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 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-?
The CAS number of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- is 107659-04-1.
What is the molecular formula of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-?
The molecular formula of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- is C16H20ClN3O2.
What is the molecular weight of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-?
The molecular weight of 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- is 321.1244 g/mol.
Where can I buy 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-?
You can request a quote for 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 1-Heptanone, 1-(4-dichlorophenyl)-2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.