![CAS 1160248-50-9 1′-Acetyl-6-Bromospiro[Indoline-3,4′-Piperidin]-2-One molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160248-50-9.gif)
CAS RN: 1160248-50-9
1′-Acetyl-6-Bromospiro[Indoline-3,4′-Piperidin]-2-One
- Product code: SSC-016098
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 | Shenzhen | Inquiry |
1160248-50-9 / 1'-acetyl-6-bromospiro[1H-indole-3,4'-piperidine]-2-one
1'-acetyl-6-bromospiro[indoline-3,4'-piperidin]-2-one | MFCD12198819 | 1-Acetyl-6-Bromospiro[Indoline-3,4-Piperidin]-2-One
Basic Information
CAS
1160248-50-9
Multi CAS
No
Molecular Formula
C14H15BrN2O2
Molecular Weight
323.180000
Exact Mass
322.031690
SMILES
CC(=O)N1CCC2(CC1)C3=C(C=C(C=C3)Br)NC2=O
InChI
InChI=1S/C14H15BrN2O2/c1-9(18)17-6-4-14(5-7-17)11-3-2-10(15)8-12(11)16-13(14)19/h2-3,8H,4-7H2,1H3,(H,16,19)
InChIKey
OPYSQYDYYPSVQZ-UHFFFAOYSA-N
Synonyms
1'-acetyl-6-bromospiro[indoline-3,4'-piperidin]-2-one
MFCD12198819
1-Acetyl-6-Bromospiro[Indoline-3,4-Piperidin]-2-One
1'-acetyl-6-bromo-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
1'-acetyl-6-bromospiro[1H-indole-3,4'-piperidine]-2-one
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.94
TPSA
49.41
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
1.3
Consensus LogP
1.87
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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