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CAS 757239-76-2 1-Oxa-8-azaspiro[4.5]decan-3-ol (9CI) molecular structure lightbox
CAS RN: 757239-76-2

1-Oxa-8-azaspiro[4.5]decan-3-ol (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS757239-76-2
  • Purity/Analytical Methods: >99.0%
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757239-76-2 / 1-oxa-8-azaspiro[4.5]decan-3-ol

Standard CAS: 757239-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
757239-76-2
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c10-7-5-8(11-6-7)1-3-9-4-2-8/h7,9-10H,1-6H2
InChIKey
JQNSUWHWLBLHQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.41
TPSA
41.49

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.5
Consensus LogP
-0.24
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.76

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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