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CAS 1128133-41-4 tert-Butyl 7-broMospiro[indoline-3,4′-piperidine]-1′-carboxylate molecular structure lightbox
CAS RN: 1128133-41-4

tert-Butyl 7-broMospiro[indoline-3,4′-piperidine]-1′-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013123
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 1128133-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1128133-41-4 / tert-butyl 7-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

TERT-BUTYL 7-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE | MFCD12198578 | tert-butyl 7-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

Standard CAS: 1128133-41-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1128133-41-4
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=C3Br
InChI
InChI=1S/C17H23BrN2O2/c1-16(2,3)22-15(21)20-9-7-17(8-10-20)11-19-14-12(17)5-4-6-13(14)18/h4-6,19H,7-11H2,1-3H3
InChIKey
FITWCTZHUZMMFA-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 7-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE MFCD12198578 tert-butyl 7-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate tert-butyl 7-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate tert-Butyl7-bromospiro[indoline-3,4'-piperidine]-1'-carboxylate

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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