CAS RN: 927-83-3

AZO-TERT-BUTANE

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  • Product code: starshine_CAS927-83-3
  • Purity/Analytical Methods: >99.0%
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927-83-3 / ditert-butyldiazene

Standard CAS: 927-83-3 Multi CAS: Yes

Basic Information

CAS
927-83-3
Multi CAS
Yes
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
InChI
InChI=1S/C8H18N2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKey
GKCPCPKXFGQXGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.36
TPSA
24.72

LogP / Solubility

WLOGP
3.04
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.63
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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