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CAS 187106-14-5 1-Azaspiro[4.4]nonane-2,6-dione,(S)-(9CI) molecular structure lightbox
CAS RN: 187106-14-5

1-Azaspiro[4.4]nonane-2,6-dione,(S)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS187106-14-5
  • Purity/Analytical Methods: >99.0%
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187106-14-5 / (5S)-1-azaspiro[4.4]nonane-2,9-dione

Standard CAS: 187106-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187106-14-5
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
C1CC(=O)[C@]2(C1)CCC(=O)N2
InChI
InChI=1S/C8H11NO2/c10-6-2-1-4-8(6)5-3-7(11)9-8/h1-5H2,(H,9,11)/t8-/m0/s1
InChIKey
LXGWFGOAUWPEFB-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.97
TPSA
46.17

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
-0.3
Consensus LogP
0.14
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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