![CAS 1128150-05-9 tert-Butyl 5-(trifluoromethyl)-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1128150-05-9.gif)
CAS RN: 1128150-05-9
tert-Butyl 5-(trifluoromethyl)-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250911 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1128150-05-9
- Purity/Analytical Methods: >99.0%
1128150-05-9 / tert-butyl 5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
tert-Butyl 5-trifluoromethylspiro[indoline-3,4'-piperidine]-1'-carboxylate | MFCD20259869 | TERT-BUTYL 5-(TRIFLUOROMETHYL)-1,2-DIHYDROSPIRO[INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLATE
Basic Information
CAS
1128150-05-9
Multi CAS
No
Molecular Formula
C18H23F3N2O2
Molecular Weight
356.400000
Exact Mass
356.171162
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-8-6-17(7-9-23)11-22-14-5-4-12(10-13(14)17)18(19,20)21/h4-5,10,22H,6-9,11H2,1-3H3
InChIKey
UZZHBJUKHRVECA-UHFFFAOYSA-N
Synonyms
tert-Butyl 5-trifluoromethylspiro[indoline-3,4'-piperidine]-1'-carboxylate
MFCD20259869
TERT-BUTYL 5-(TRIFLUOROMETHYL)-1,2-DIHYDROSPIRO[INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLATE
tert-butyl 5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
TERT-BUTYL 5-(TRIFLUOROMETHYL)SPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.65
TPSA
41.57
LogP / Solubility
WLOGP
4.4
MLOGP
3.89
XLogP3
4
Consensus LogP
4.1
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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