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CAS 1914148-54-1 3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate molecular structure lightbox
CAS RN: 1914148-54-1

3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 100mg Out of stock Inquiry
Batchno.20250815 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-089665
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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

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

Recorded sizes, purity and stock details for CAS 1914148-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1914148-54-1 / 3,9-diazaspiro[5.5]undecan-4-one;2,2,2-trifluoroacetic acid

Standard CAS: 1914148-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1914148-54-1
Multi CAS
No
Molecular Formula
C11H17F3N2O3
Molecular Weight
282.260000
Exact Mass
282.119127
SMILES
C1CNCCC12CCNC(=O)C2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C9H16N2O.C2HF3O2/c12-8-7-9(3-6-11-8)1-4-10-5-2-9;3-2(4,5)1(6)7/h10H,1-7H2,(H,11,12);(H,6,7)
InChIKey
UNPHVIAXUMVJHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.82
H-bond acceptors
3
H-bond donors
3
Molar refractivity
60.47
TPSA
78.43

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.8

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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