Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate
TL;DR: Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate (CAS 1001519-19-2) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
Also Known As: Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate, methyl 5-(1,3,5-trimethylpyrazol-4-yl)isoxazole-3-carboxylate, methyl 5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate, 5-(1,3,5-Trimethyl-1 H -pyrazol-4-yl)-isoxazole-3-carboxylic acid methyl ester, 5-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-isoxazole-3-carboxylic acid methyl ester
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.47854 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 568.5238 |
Chemical Identifiers
| CAS Number | 1001519-19-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C2=CC(=NO2)C(=O)OC |
Product Overview
Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate (CAS 1001519-19-2), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: methyl 5-(1,3,5-trimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate
Property Insights of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate
The XLogP value of 1.47854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate 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 Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate?
The CAS number of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate is 1001519-19-2.
What is the molecular formula of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate?
The molecular formula of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate is C11H13N3O3.
What is the molecular weight of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate?
The molecular weight of Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate is 235.10 g/mol.
Where can I buy Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate?
You can request a quote for Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(1,3,5-trimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.