CAS RN: 1217839-54-7
(R)-piperazine-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217839-54-7
- Purity/Analytical Methods: >99.0%
1217839-54-7 / (2R)-piperazine-2-carbonitrile
Basic Information
CAS
1217839-54-7
Multi CAS
No
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
SMILES
C1CN[C@H](CN1)C#N
InChI
InChI=1S/C5H9N3/c6-3-5-4-7-1-2-8-5/h5,7-8H,1-2,4H2/t5-/m0/s1
InChIKey
FXGJYEBAJZLAJX-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
30.27
TPSA
47.85
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.83
XLogP3
-1
Consensus LogP
-0.92
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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