3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole
TL;DR: 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole (CAS 914287-48-2) is a chemical compound with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
Also Known As: Maybridge3_007284, 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole, 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole, IDI1_018671, BRD-K74900654-001-07-1
| Molecular Formula | C13H10ClN3O |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 3.69352 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.05124 |
| Heavy Atoms | 18 |
| Complexity | 656.1185 |
Chemical Identifiers
| CAS Number | 914287-48-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=NN3 |
Product Overview
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole (CAS 914287-48-2), with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol. IUPAC: 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole.
Chemical Property Profile of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole
Property Insights of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole
The XLogP value of 3.69352 indicates that 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.71 Ų, 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole 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 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole?
The CAS number of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole is 914287-48-2.
What is the molecular formula of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole?
The molecular formula of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole is C13H10ClN3O.
What is the molecular weight of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole?
The molecular weight of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole is 259.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole?
You can request a quote for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.