3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
TL;DR: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide (CAS 712347-03-0) is a chemical compound with molecular formula C21H18ClFN4O3 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Also Known As: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide, AN-329/43210759, 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide, 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide, N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[3-(2-chloro-6-fluorophenyl)( 4,5-dihydroisoxazol-5-yl)]carboxamide
| Molecular Formula | C21H18ClFN4O3 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 3.40862 |
| Topological Polar Surface Area | 77.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.10513 |
| Heavy Atoms | 30 |
| Complexity | 1196.7297 |
Chemical Identifiers
| CAS Number | 712347-03-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=C(C=CC=C4Cl)F |
Product Overview
3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide (CAS 712347-03-0), with molecular formula C21H18ClFN4O3 and molecular weight 428.11 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
Chemical Property Profile of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
Property Insights of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
The XLogP value of 3.40862 indicates that 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide has 1 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-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide?
The CAS number of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide is 712347-03-0.
What is the molecular formula of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide?
The molecular formula of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide is C21H18ClFN4O3.
What is the molecular weight of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide?
The molecular weight of 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide is 428.11 g/mol.
Where can I buy 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide?
You can request a quote for 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.