CAS RN: 627-70-3
ACETONE AZINE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS627-70-3
- Purity/Analytical Methods: >99.0%
627-70-3 / N-(propan-2-ylideneamino)propan-2-imine
Basic Information
CAS
627-70-3
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
InChI
InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3
InChIKey
PFLUPZGCTVGDLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.57
TPSA
24.72
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
0.4
Consensus LogP
1.3
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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