![CAS 2102412-13-3 2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102412-13-3.png)
CAS RN: 2102412-13-3
2-[1-(ethanesulfonyl)piperidin-4-ylidene]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.20260303 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-100046
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2102412-13-3 / 2-(1-ethylsulfonylpiperidin-4-ylidene)acetonitrile
Basic Information
CAS
2102412-13-3
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
SMILES
CCS(=O)(=O)N1CCC(=CC#N)CC1
InChI
InChI=1S/C9H14N2O2S/c1-2-14(12,13)11-7-4-9(3-6-10)5-8-11/h3H,2,4-5,7-8H2,1H3
InChIKey
ZGXFKWBJRHIDHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.96
TPSA
61.17
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
Consensus LogP
0.55
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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