methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate (CAS 355157-16-3) is a chemical compound with molecular formula C20H19F3N4O3 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate, methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate
| Molecular Formula | C20H19F3N4O3 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.02132 |
| Topological Polar Surface Area | 88.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.14093 |
| Heavy Atoms | 30 |
| Complexity | 1078.1713 |
Chemical Identifiers
| CAS Number | 355157-16-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)NNC3=CC=CC=C3 |
Product Overview
methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate (CAS 355157-16-3), with molecular formula C20H19F3N4O3 and molecular weight 420.14 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate
The XLogP value of 3.02132 indicates that methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate has 3 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 methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate is 355157-16-3.
What is the molecular formula of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate is C20H19F3N4O3.
What is the molecular weight of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate is 420.14 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-phenylhydrazinyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.