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CAS 176-64-7 8-AZASPIRO[4.5]DECANE molecular structure lightbox
CAS RN: 176-64-7

8-AZASPIRO[4.5]DECANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS176-64-7
  • Purity/Analytical Methods: >99.0%
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176-64-7 / 8-azaspiro[4.5]decane

Standard CAS: 176-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176-64-7
Multi CAS
No
Molecular Formula
C9H17N
Molecular Weight
139.240000
Exact Mass
139.136100
SMILES
C1CCC2(C1)CCNCC2
InChI
InChI=1S/C9H17N/c1-2-4-9(3-1)5-7-10-8-6-9/h10H,1-8H2
InChIKey
AXMNGEUJXLXFRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43
TPSA
12.03

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
2.3
Consensus LogP
1.97
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.2

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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