![CAS 1160247-72-2 tert-Butyl 4-bromo-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-72-2.gif)
CAS RN: 1160247-72-2
tert-Butyl 4-bromo-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate
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| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160247-72-2
- Purity/Analytical Methods: >99.0%
1160247-72-2 / tert-butyl 4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
TERT-BUTYL 4-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE | tert-Butyl 4-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate | MFCD12198633
Basic Information
CAS
1160247-72-2
Multi CAS
Yes
Molecular Formula
C17H23BrN2O2
Molecular Weight
367.300000
Exact Mass
366.094290
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C(=CC=C3)Br
InChI
InChI=1S/C17H23BrN2O2/c1-16(2,3)22-15(21)20-9-7-17(8-10-20)11-19-13-6-4-5-12(18)14(13)17/h4-6,19H,7-11H2,1-3H3
InChIKey
HLMMEAFIUWRKDO-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE
tert-Butyl 4-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
MFCD12198633
tert-butyl 4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
DTXSID401128259
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.35
TPSA
41.57
LogP / Solubility
WLOGP
4.14
MLOGP
3.67
XLogP3
3.8
Consensus LogP
3.87
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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)
-2.02
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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