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CAS RN: 34064-86-3
3-PIPERAZIN-1-YL-PROPIONITRILE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS34064-86-3
- Purity/Analytical Methods: >99.0%
34064-86-3 / 3-piperazin-1-ylpropanenitrile
Basic Information
CAS
34064-86-3
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
InChI
InChI=1S/C7H13N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1,3-7H2
InChIKey
MVOFPBMQTXKONX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.54
TPSA
39.06
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.18
XLogP3
-0.7
Consensus LogP
-0.36
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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