![CAS 1190861-39-2 6′-broMospiro[cyclobutane-1,3′-indolin]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190861-39-2.gif)
CAS RN: 1190861-39-2
6′-broMospiro[cyclobutane-1,3′-indolin]-2′-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-019531
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: 0.1g, 0.25g, 1g, 5g
- 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.
1190861-39-2 / 6-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
6'-BROMOSPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE | MFCD19703308 | 6-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
Basic Information
CAS
1190861-39-2
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
C1CC2(C1)C3=C(C=C(C=C3)Br)NC2=O
InChI
InChI=1S/C11H10BrNO/c12-7-2-3-8-9(6-7)13-10(14)11(8)4-1-5-11/h2-3,6H,1,4-5H2,(H,13,14)
InChIKey
ZEVCFLHNDBDPPS-UHFFFAOYSA-N
Synonyms
6'-BROMOSPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE
MFCD19703308
6-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
6'-bromospiro[cyclobutane-1,3'-indol]-2'(1'h)-one
SCHEMBL2075283
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.3
TPSA
29.1
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
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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