CAS RN: 7130-93-0

6-azabicyclo[3.2.0]heptane

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  • Product code: starshine_CAS7130-93-0
  • Purity/Analytical Methods: >99.0%
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7130-93-0 / 6-azabicyclo[3.2.0]heptane

Standard CAS: 7130-93-0 Multi CAS: No

Basic Information

CAS
7130-93-0
Multi CAS
No
Molecular Formula
C6H11N
Molecular Weight
97.160000
Exact Mass
97.089149
InChI
InChI=1S/C6H11N/c1-2-5-4-7-6(5)3-1/h5-7H,1-4H2
InChIKey
GWFZPCFEIOINER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.13
TPSA
12.03

LogP / Solubility

WLOGP
0.76
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-2.77

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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