3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
TL;DR: 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole (CAS 328311-22-4) is a chemical compound with molecular formula C14H10ClN3O2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
Also Known As: pyrazol-isoxazole, 16, 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole, [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone, 3-(2-chlorophenyl)-5-methylisoxazol-4-yl pyrazolyl ketone, A2038/0085647
| Molecular Formula | C14H10ClN3O2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.04614 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 328311-22-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3C=CC=N3 |
| InChIKey | GVTAPDQOWYWGMM-UHFFFAOYSA-N |
Product Overview
3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole (CAS 328311-22-4), with molecular formula C14H10ClN3O2 and molecular weight 287.05 g/mol. IUPAC: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone.
Chemical Property Profile of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
Property Insights of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole 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-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole?
The CAS number of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole is 328311-22-4.
What is the molecular formula of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole?
The molecular formula of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole is C14H10ClN3O2.
What is the molecular weight of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole?
The molecular weight of 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole is 287.05 g/mol.
Where can I buy 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole?
You can request a quote for 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.