![N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide structure](/static/products/879/879470-63-0.png)
N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
TL;DR: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CAS 879470-63-0) is a chemical compound with molecular formula C22H17FN6O3S and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid {N'-[5-(4-fluoro-phenyl)-1H-pyrazole-3-carbonyl]-hydrazinocarbothioyl}-amide, 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid {N'-[5-(4-fluoro-phenyl)-1H-pyrazole-3-carbonyl]-hydrazinocarbothioyl}-amide, N-(2-(5-(4-fluorophenyl)-1H-pyrazole-3-carbonyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide, N-[(2-{[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}hydrazinyl)carbonothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C22H17FN6O3S |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 3.12852 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.1067 |
| Heavy Atoms | 33 |
| Complexity | 1317.6719 |
Chemical Identifiers
| CAS Number | 879470-63-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F |
Product Overview
N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CAS 879470-63-0), with molecular formula C22H17FN6O3S and molecular weight 464.11 g/mol. IUPAC: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Property Insights of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
The XLogP value of 3.12852 indicates that N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has 4 hydrogen bond donor(s) and 6 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 N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The CAS number of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is 879470-63-0.
What is the molecular formula of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The molecular formula of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is C22H17FN6O3S.
What is the molecular weight of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The molecular weight of N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is 464.11 g/mol.
Where can I buy N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
You can request a quote for N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.