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CAS 55022-82-7 2-(1-benzylpiperidin-4-ylidene)acetonitrile molecular structure lightbox
CAS RN: 55022-82-7

2-(1-benzylpiperidin-4-ylidene)acetonitrile

  • Product code: SSC-162854
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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, 25g, 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 55022-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 4 In Stock Beijing Inquiry
25g ≥95% 4 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

55022-82-7 / 2-(1-benzylpiperidin-4-ylidene)acetonitrile

Standard CAS: 55022-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55022-82-7
Multi CAS
No
Molecular Formula
C14H16N2
Molecular Weight
212.290000
Exact Mass
212.131349
InChI
InChI=1S/C14H16N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2
InChIKey
GGCMXNUEQZLZHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.65
TPSA
27.03

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
1.9
Consensus LogP
2.35
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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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