1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
TL;DR: 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one (CAS 126980-27-6) is a chemical compound with molecular formula C14H16ClN3O2 and molecular weight 293.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
Also Known As: TimTec1_001502, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(4H-1,2,4-triazol-4-yl)butan-2-one
Technical Specifications
| Molecular Formula | C14H16ClN3O2 |
| Molecular Weight | 293.0931 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0931 Da |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
| SMILES | CC(C)(C)C(=O)C(N1C=NN=C1)OC2=CC=C(C=C2)Cl |
| InChIKey | SIHKKGAJTPFHND-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
Property Insights of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
The XLogP value of 3.1 indicates that 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one has 0 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-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one?
The CAS number of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one is 126980-27-6.
What is the molecular formula of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one?
The molecular formula of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one is C14H16ClN3O2.
What is the molecular weight of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one?
The molecular weight of 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one is 293.0931 g/mol.
Where can I buy 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one?
You can request a quote for 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.