3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide
TL;DR: 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide (CAS 536725-10-7) is a chemical compound with molecular formula C23H19ClFN5O3S and molecular weight 499.09 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)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide, 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-N-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonothioyl}-5-methyl-4-isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C23H19ClFN5O3S |
|---|---|
| Molecular Weight | 499.09 g/mol |
| LogP | 4.36714 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.0881 |
| Heavy Atoms | 34 |
| Complexity | 1455.7397 |
Chemical Identifiers
| CAS Number | 536725-10-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C |
Product Overview
3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide (CAS 536725-10-7), with molecular formula C23H19ClFN5O3S and molecular weight 499.09 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-5-methyl-1,2-oxazole-4-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)carbamothioyl)-5-methylisoxazole-4-carboxamide
Property Insights of 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide
The XLogP value of 4.36714 indicates that 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 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)carbamothioyl)-5-methylisoxazole-4-carboxamide. 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)carbamothioyl)-5-methylisoxazole-4-carboxamide has 2 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 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide?
The CAS number of 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide is 536725-10-7.
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)carbamothioyl)-5-methylisoxazole-4-carboxamide?
The molecular formula of 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide is C23H19ClFN5O3S.
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)carbamothioyl)-5-methylisoxazole-4-carboxamide?
The molecular weight of 3-(2-chloro-6-fluorophenyl)-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)-5-methylisoxazole-4-carboxamide is 499.09 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)carbamothioyl)-5-methylisoxazole-4-carboxamide?
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)carbamothioyl)-5-methylisoxazole-4-carboxamide 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)carbamothioyl)-5-methylisoxazole-4-carboxamide?
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)carbamothioyl)-5-methylisoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.