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CAS 68104-63-2 4-(1-Piperazinyl)benzonitrile molecular structure lightbox
CAS RN: 68104-63-2

4-(1-Piperazinyl)benzonitrile

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250905 100g In stock Inquiry
Batchno.20250520 10g In stock Inquiry
Batchno.20251224 1g In stock Inquiry
Batchno.20250828 250mg In stock Inquiry
Batchno.20250228 25g In stock Inquiry
Batchno.20260316 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260412 25g In stock Shandong Inquiry
Batchno.20250711 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-177810
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 68104-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

68104-63-2 / 4-piperazin-1-ylbenzonitrile

Standard CAS: 68104-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68104-63-2
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
InChI
InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKey
DJJNYEXRPRQXPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.24
TPSA
39.06

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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