4-acetyl-5-methyl-1H-1,2,3-triazole
TL;DR: 4-acetyl-5-methyl-1H-1,2,3-triazole (CAS 32907-47-4) is a chemical compound with molecular formula C5H7N3O and molecular weight 125.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2H-triazol-4-yl)ethanone
Also Known As: 1-(5-methyl-2H-triazol-4-yl)ethanone, 4-acetyl-5-methyl-1,2,3-triazole, 4-acetyl-5-methyl-1H-1,2,3-triazole, 1-(5-methyl-1H-[1,2,3]triazol-4-yl)-ethanone
| Molecular Formula | C5H7N3O |
|---|---|
| Molecular Weight | 125.06 g/mol |
| LogP | 0.31572 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.058914 |
| Heavy Atoms | 9 |
| Complexity | 227.86191 |
Chemical Identifiers
| CAS Number | 32907-47-4 |
|---|---|
| SMILES | CC1=NNN=C1C(=O)C |
Product Overview
4-acetyl-5-methyl-1H-1,2,3-triazole (CAS 32907-47-4), with molecular formula C5H7N3O and molecular weight 125.06 g/mol. IUPAC: 1-(5-methyl-2H-triazol-4-yl)ethanone.
Chemical Property Profile of 4-acetyl-5-methyl-1H-1,2,3-triazole
Property Insights of 4-acetyl-5-methyl-1H-1,2,3-triazole
The XLogP value of 0.31572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-5-methyl-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 58.64 Ų, 4-acetyl-5-methyl-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-5-methyl-1H-1,2,3-triazole 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
Frequently Asked Questions
What is the CAS number of 4-acetyl-5-methyl-1H-1,2,3-triazole?
The CAS number of 4-acetyl-5-methyl-1H-1,2,3-triazole is 32907-47-4.
What is the molecular formula of 4-acetyl-5-methyl-1H-1,2,3-triazole?
The molecular formula of 4-acetyl-5-methyl-1H-1,2,3-triazole is C5H7N3O.
What is the molecular weight of 4-acetyl-5-methyl-1H-1,2,3-triazole?
The molecular weight of 4-acetyl-5-methyl-1H-1,2,3-triazole is 125.06 g/mol.
Where can I buy 4-acetyl-5-methyl-1H-1,2,3-triazole?
You can request a quote for 4-acetyl-5-methyl-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-5-methyl-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-5-methyl-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.