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CAS 124269-04-1 4-AZASPIRO[2.5]OCTANE molecular structure lightbox
CAS RN: 124269-04-1

4-AZASPIRO[2.5]OCTANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS124269-04-1
  • Purity/Analytical Methods: >99.0%
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124269-04-1 / 4-azaspiro[2.5]octane

Standard CAS: 124269-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124269-04-1
Multi CAS
No
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
SMILES
C1CCNC2(C1)CC2
InChI
InChI=1S/C7H13N/c1-2-6-8-7(3-1)4-5-7/h8H,1-6H2
InChIKey
HVFHYYCWZWCTMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.82
TPSA
12.03

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1
Consensus LogP
1.14
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-2.48

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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