CAS RN: 2158301-19-8
(S)-2-(piperazin-2-yl)acetonitrile dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-103450
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 0.25g, 1g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2158301-19-8 / 2-[(2S)-piperazin-2-yl]acetonitrile;dihydrochloride
Basic Information
CAS
2158301-19-8
Multi CAS
No
Molecular Formula
C6H13Cl2N3
Molecular Weight
198.090000
Exact Mass
197.048653
SMILES
C1CN[C@H](CN1)CC#N.Cl.Cl
InChI
InChI=1S/C6H11N3.2ClH/c7-2-1-6-5-8-3-4-9-6;;/h6,8-9H,1,3-5H2;2*1H/t6-;;/m0../s1
InChIKey
YHCNTTLRKUTDRD-ILKKLZGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.39
TPSA
47.85
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
0.31
Consensus LogP
0.3
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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
2
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![CAS 2158302-03-3 tert-butyl (S)-4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2158302-03-3.png)
