1-Pivaloyl-1,2,4-triazole
TL;DR: 1-Pivaloyl-1,2,4-triazole (CAS 60718-52-7) is a chemical compound with molecular formula C7H11N3O and molecular weight 153.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-Pivaloyl-1,2,4-triazole, 1-Pivaloyl-1H-1,2,4-triazole, 2,2-dimethyl-1-(1H-1,2,4-triazol-1-yl)propan-1-one, 1-(2,2-Dimethylpropionyl)-1H-1,2,4-triazole, 2,2-dimethyl-1-(1,2,4-triazol-1-yl)propan-1-one
| Molecular Formula | C7H11N3O |
|---|---|
| Molecular Weight | 153.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.09021 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 60718-52-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)N1C=NC=N1 |
| InChIKey | UJTIGDOKKYGPSB-UHFFFAOYSA-N |
Product Overview
1-Pivaloyl-1,2,4-triazole (CAS 60718-52-7), with molecular formula C7H11N3O and molecular weight 153.09 g/mol. IUPAC: 2,2-dimethyl-1-(1,2,4-triazol-1-yl)propan-1-one.
Chemical Property Profile of 1-Pivaloyl-1,2,4-triazole
Property Insights of 1-Pivaloyl-1,2,4-triazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pivaloyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 47.8 Ų, 1-Pivaloyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pivaloyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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-Pivaloyl-1,2,4-triazole?
The CAS number of 1-Pivaloyl-1,2,4-triazole is 60718-52-7.
What is the molecular formula of 1-Pivaloyl-1,2,4-triazole?
The molecular formula of 1-Pivaloyl-1,2,4-triazole is C7H11N3O.
What is the molecular weight of 1-Pivaloyl-1,2,4-triazole?
The molecular weight of 1-Pivaloyl-1,2,4-triazole is 153.09 g/mol.
Where can I buy 1-Pivaloyl-1,2,4-triazole?
You can request a quote for 1-Pivaloyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pivaloyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Pivaloyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.