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CAS 218136-59-5 α,α-Diphenyl-4-[(3-pyridinylmethylene)amino]-1-piperazinepentanenitrile molecular structure lightbox
CAS RN: 218136-59-5

α,α-Diphenyl-4-[(3-pyridinylmethylene)amino]-1-piperazinepentanenitrile

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 100mg In stock Shanghai Inquiry
Batchno.20250203 10mg In stock Shanghai Inquiry
Batchno.20250420 10mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250825 1g Out of stock Inquiry
Batchno.20250419 1mg In stock Shanghai Inquiry
Batchno.20250125 250mg Out of stock Inquiry
Batchno.20260411 25mg In stock Shanghai Inquiry
Batchno.20260318 50mg In stock Shanghai Inquiry
Batchno.20260524 5mg In stock Shanghai Inquiry
  • Product code: SSC-105190
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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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 218136-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

218136-59-5 / 2,2-diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile

Standard CAS: 218136-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218136-59-5
Multi CAS
No
Molecular Formula
C27H29N5
Molecular Weight
423.600000
Exact Mass
423.242296
SMILES
C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)/N=C/C4=CN=CC=C4
InChI
InChI=1S/C27H29N5/c28-23-27(25-10-3-1-4-11-25,26-12-5-2-6-13-26)14-8-16-31-17-19-32(20-18-31)30-22-24-9-7-15-29-21-24/h1-7,9-13,15,21-22H,8,14,16-20H2/b30-22+
InChIKey
QFYKXKMYVYOUNJ-JBASAIQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
128.36
TPSA
55.52

LogP / Solubility

WLOGP
4.32
MLOGP
3.83
XLogP3
4.4
Consensus LogP
4.18
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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