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CAS 78477-91-5 8-Methyl-8-Azabicyclo[3.2.1]octan-2-one molecular structure lightbox
CAS RN: 78477-91-5

8-Methyl-8-Azabicyclo[3.2.1]octan-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS78477-91-5
  • Purity/Analytical Methods: >99.0%
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78477-91-5 / 8-methyl-8-azabicyclo[3.2.1]octan-2-one

Standard CAS: 78477-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78477-91-5
Multi CAS
Yes
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
InChI
InChI=1S/C8H13NO/c1-9-6-2-4-7(9)8(10)5-3-6/h6-7H,2-5H2,1H3
InChIKey
VIZAOHGVLPCBMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
38.81
TPSA
20.31

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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