CAS RN: 2158302-02-2
(S)-benzyl 2-(cyanomethyl)piperazine-1-carboxylate hydrochloride
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.20260309 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-103453
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
2158302-02-2 / benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
2158302-02-2
Multi CAS
No
Molecular Formula
C14H18ClN3O2
Molecular Weight
295.760000
Exact Mass
295.108755
SMILES
C1CN([C@H](CN1)CC#N)C(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H17N3O2.ClH/c15-7-6-13-10-16-8-9-17(13)14(18)19-11-12-4-2-1-3-5-12;/h1-5,13,16H,6,8-11H2;1H/t13-;/m0./s1
InChIKey
ZGVOKAJRQLORSV-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.47
TPSA
65.36
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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