Setafrastat
Basic information
- CAS
1399715-48-0- Standard SMILES
CC1(C)CC(C)(C)CC(O)(C(F)(F)C(=O)N2CCC[C@H]2c2cc(COc3cccnc3)on2)C1- InChIKey
CSZFOLMDHFDLLR-FQEVSTJZSA-N- Molecular formula
- C25H33F2N3O4
- Average molar mass
- 477.5 g/mol
Overview
Setafrastat is a small molecule drug. Setafrastat has a monoisotopic molecular weight of 477.24 Da.
Names & identifiers
- Preferred name
- Setafrastat
- IUPAC
- 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-[(2S)-2-[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]ethanone
- English name
- Setafrastat
- Molecular formula
- C25H33F2N3O4
- Molecular weight
- 477.54
Names & synonyms
SetafrastatSetafrastat [INN]A4GA99B6HK1399715-48-0UNII-A4GA99B6HKTS133TS-1332,2-Difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-((2S)-2-(5-((3-pyridinyloxy)methyl)-3-isoxazolyl)-1-pyrrolidinyl)ethanoneEthanone, 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-((2S)-2-(5-((3-pyridinyloxy)methyl)-3-isoxazolyl)-1-pyrrolidinyl)-setafrastatumRefChem:1826102,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-[(2S)-2-[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]ethanone
Show more names
Ethanone, 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-[(2S)-2-[5-[(3-pyridinyloxy)methyl]-3-isoxazolyl]-1-pyrrolidinyl]-2,2-Difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-[(2S)-2-[5-[(3-pyridinyloxy)methyl]-3-isoxazolyl]-1-pyrrolidinyl]ethanone (ACI)
orb1699321SCHEMBL17103750AKOS040749486DA-77809HY-109102CS-0039502T28760(S)-2,2-Difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-1-(2-(5-((pyridin-3-yloxy)methyl)isoxazol-3-yl)pyrrolidin-1-yl)ethanone
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Boiling point
- 636.7 · 636.7±55.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.60(Predicted)
- FDA UNII
- 4 GA99B6HK · A4GA99B6HK
Chemistry & industry
Applications
UsesSetafrastat (Compound 40) is a hair growth stimulator[1].
Related reactions
2 records
Compound notes
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