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CAS 890092-19-0 4-(4-ACETYLPIPERAZIN-1-YL)BENZALDEHYDE molecular structure lightbox
CAS RN: 890092-19-0

4-(4-ACETYLPIPERAZIN-1-YL)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-200847
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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: 1g
  • Available purity: ＞97%
  • 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 890092-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

890092-19-0 / 4-(4-acetylpiperazin-1-yl)benzaldehyde

Standard CAS: 890092-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
890092-19-0
Multi CAS
No
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
InChI
InChI=1S/C13H16N2O2/c1-11(17)14-6-8-15(9-7-14)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKey
DYRIBKWUSUQUNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.3
TPSA
40.62

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.31

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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