CAS RN: 1589082-26-7
(S)-2-(piperazin-2-yl)acetonitrile
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.20250614 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1589082-26-7
- Purity/Analytical Methods: >99.0%
1589082-26-7 / 2-[(2S)-piperazin-2-yl]acetonitrile
Basic Information
CAS
1589082-26-7
Multi CAS
No
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
SMILES
C1CN[C@H](CN1)CC#N
InChI
InChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2/t6-/m0/s1
InChIKey
TVKAZNBVXZKTAV-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.89
TPSA
47.85
LogP / Solubility
WLOGP
-0.54
MLOGP
-0.48
XLogP3
-1.1
Consensus LogP
-0.71
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very 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)
-3.87
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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