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CAS 34102-49-3 7-AZABICYCLO[4.2.0]OCTAN-8-ONE molecular structure lightbox
CAS RN: 34102-49-3

7-AZABICYCLO[4.2.0]OCTAN-8-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34102-49-3
  • Purity/Analytical Methods: >99.0%
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34102-49-3 / 7-azabicyclo[4.2.0]octan-8-one

Standard CAS: 34102-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34102-49-3
Multi CAS
Yes
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6(5)8-7/h5-6H,1-4H2,(H,8,9)
InChIKey
SQHJLZVUXVHXKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.89
TPSA
29.1

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3

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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