3-Acetoxy-1-acetyl-5-methylpyrazole
TL;DR: 3-Acetoxy-1-acetyl-5-methylpyrazole (CAS 38004-22-7) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-5-methylpyrazol-3-yl) acetate
Also Known As: 3-Acetoxy-1-acetyl-5-methylpyrazole, (1-acetyl-5-methylpyrazol-3-yl) acetate, 1-Acetyl-5-methyl-1H-pyrazol-3-yl acetate, 1H-Pyrazol-3-ol, 1-acetyl-5-methyl-, acetate (ester), RefChem:92774
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 0.77692 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 354.27115 |
Chemical Identifiers
| CAS Number | 38004-22-7 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C)OC(=O)C |
Product Overview
3-Acetoxy-1-acetyl-5-methylpyrazole (CAS 38004-22-7), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: (1-acetyl-5-methylpyrazol-3-yl) acetate.
Chemical Property Profile of 3-Acetoxy-1-acetyl-5-methylpyrazole
Property Insights of 3-Acetoxy-1-acetyl-5-methylpyrazole
The XLogP value of 0.77692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-1-acetyl-5-methylpyrazole. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-1-acetyl-5-methylpyrazole. Following Lipinski's Rule of Five, 3-Acetoxy-1-acetyl-5-methylpyrazole 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
Frequently Asked Questions
What is the CAS number of 3-Acetoxy-1-acetyl-5-methylpyrazole?
The CAS number of 3-Acetoxy-1-acetyl-5-methylpyrazole is 38004-22-7.
What is the molecular formula of 3-Acetoxy-1-acetyl-5-methylpyrazole?
The molecular formula of 3-Acetoxy-1-acetyl-5-methylpyrazole is C8H10N2O3.
What is the molecular weight of 3-Acetoxy-1-acetyl-5-methylpyrazole?
The molecular weight of 3-Acetoxy-1-acetyl-5-methylpyrazole is 182.07 g/mol.
Where can I buy 3-Acetoxy-1-acetyl-5-methylpyrazole?
You can request a quote for 3-Acetoxy-1-acetyl-5-methylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-1-acetyl-5-methylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-1-acetyl-5-methylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.