![1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone structure](/static/products/926/92658-77-0.png)
1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone
TL;DR: 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone (CAS 92658-77-0) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propan-2-one
Also Known As: Maybridge1_003225, 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone, 4-(1-Azepanylsulfonyl)aniline, 3435AF, 1-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propan-2-one
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 92658-77-0 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C=NC(=N2)CC(=O)C |
| InChIKey | RYCXPURJFYPSKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone (CAS 92658-77-0), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: 1-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propan-2-one.
Chemical Property Profile of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone
Property Insights of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone. Following Lipinski's Rule of Five, 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone has 0 hydrogen bond donor(s) and 5 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-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone?
The CAS number of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone is 92658-77-0.
What is the molecular formula of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone?
The molecular formula of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone is C9H10N4O2.
What is the molecular weight of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone?
The molecular weight of 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone is 206.08 g/mol.
Where can I buy 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone?
You can request a quote for 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(5-Methylisoxazol-3-Yl)-1H-1,2,4-Triazol-3-Yl]Acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.