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CAS 136080-25-6 spiro[indene-2,4′-piperidin]-1(3H)-one molecular structure lightbox
CAS RN: 136080-25-6

spiro[indene-2,4′-piperidin]-1(3H)-one

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20250610 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250806 1g In stock Shanghai Inquiry
Batchno.20250124 250mg In stock Shanghai Inquiry
  • Product code: SSC-044713
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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: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 136080-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

136080-25-6 / spiro[3H-indene-2,4'-piperidine]-1-one

Standard CAS: 136080-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136080-25-6
Multi CAS
No
Molecular Formula
C13H15NO
Molecular Weight
201.260000
Exact Mass
201.115364
SMILES
C1CNCCC12CC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H15NO/c15-12-11-4-2-1-3-10(11)9-13(12)5-7-14-8-6-13/h1-4,14H,5-9H2
InChIKey
OQYGRYBPALDMPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.01
TPSA
29.1

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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