![CAS 878167-55-6 tert-Butyl 5-broMospiro[indoline-3,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878167-55-6.gif)
CAS RN: 878167-55-6
tert-Butyl 5-broMospiro[indoline-3,4′-piperidine]-1′-carboxylate
- Product code: SSC-198132
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
878167-55-6 / tert-butyl 5-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
Basic Information
CAS
878167-55-6
Multi CAS
Yes
Molecular Formula
BC17H23O2Rn2
Molecular Weight
367.300000
Exact Mass
366.094290
InChI
InChI=1S/C17H23BrN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey
WFBWTVMSUBPQMI-UHFFFAOYSA-N
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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