4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 372502-92-6) is a chemical compound with molecular formula C21H19F6N3O and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-{1,1,1,3,3,3-hexafluoro-2-[(2-phenylethyl)amino]propan-2-yl}-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-{1,1,1,3,3,3-hexafluoro-2-[(2-phenylethyl)amino]propan-2-yl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H19F6N3O |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 4.62622 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.14322 |
| Heavy Atoms | 31 |
| Complexity | 1054.4799 |
Chemical Identifiers
| CAS Number | 372502-92-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NCCC3=CC=CC=C3 |
Product Overview
4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 372502-92-6), with molecular formula C21H19F6N3O and molecular weight 443.14 g/mol. IUPAC: 4-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 4.62622 indicates that 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one has 2 hydrogen bond donor(s) and 2 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 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one is 372502-92-6.
What is the molecular formula of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one is C21H19F6N3O.
What is the molecular weight of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one is 443.14 g/mol.
Where can I buy 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.