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CAS 19718-88-8 1,4-Diazaspiro[4.5]decan-2-one molecular structure lightbox
CAS RN: 19718-88-8

1,4-Diazaspiro[4.5]decan-2-one

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 100mg Out of stock Inquiry
Batchno.20250918 1g Out of stock Inquiry
Batchno.20251223 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS19718-88-8
  • Purity/Analytical Methods: >99.0%
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19718-88-8 / 1,4-diazaspiro[4.5]decan-3-one

Standard CAS: 19718-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19718-88-8
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
SMILES
C1CCC2(CC1)NCC(=O)N2
InChI
InChI=1S/C8H14N2O/c11-7-6-9-8(10-7)4-2-1-3-5-8/h9H,1-6H2,(H,10,11)
InChIKey
FLZYHGIIDJMSJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.96
TPSA
41.13

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.4

Drug-likeness / Medicinal Chemistry

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

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