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CAS 944258-72-4 5-Azaspiro[2.4]heptan-7-ol molecular structure lightbox
CAS RN: 944258-72-4

5-Azaspiro[2.4]heptan-7-ol

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260218 100mg Out of stock Inquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20260603 250mg Out of stock Inquiry
Batchno.20250112 5g Out of stock Inquiry
  • Product code: starshine_CAS944258-72-4
  • Purity/Analytical Methods: >99.0%
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944258-72-4 / 5-azaspiro[2.4]heptan-7-ol

Standard CAS: 944258-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944258-72-4
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
InChI
InChI=1S/C6H11NO/c8-5-3-7-4-6(5)1-2-6/h5,7-8H,1-4H2
InChIKey
BHIQRZLQBMERJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.54
TPSA
32.26

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.25
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
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)
-3.6

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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