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CAS 166438-88-6 4-(4-BENZYLPIPERAZIN-1-YL)BENZALDEHYDE molecular structure lightbox
CAS RN: 166438-88-6

4-(4-BENZYLPIPERAZIN-1-YL)BENZALDEHYDE

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 250mg In stock Inquiry
Batchno.20250706 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072662
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 166438-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry

166438-88-6 / 4-(4-benzylpiperazin-1-yl)benzaldehyde

Standard CAS: 166438-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166438-88-6
Multi CAS
No
Molecular Formula
C18H20N2O
Molecular Weight
280.400000
Exact Mass
280.157563
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKey
JDWZUVQRUPAVPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
85.76
TPSA
23.55

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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