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CAS 138253-30-2 4-(2,2′:6′,2”-TERPYRIDIN-4′-YL)BENZALDEHYDE molecular structure lightbox
CAS RN: 138253-30-2

4-(2,2′:6′,2”-TERPYRIDIN-4′-YL)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100mg In stock Shanghai Inquiry
Batchno.20250502 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250330 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260120 250mg In stock Shanghai Inquiry
Batchno.20250310 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-048186
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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: 0.25g, 1g, 5g
  • 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 138253-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

138253-30-2 / 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzaldehyde

Standard CAS: 138253-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138253-30-2
Multi CAS
No
Molecular Formula
C22H15N3O
Molecular Weight
337.400000
Exact Mass
337.121512
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C22H15N3O/c26-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-23-19)25-22(14-18)20-6-2-4-12-24-20/h1-15H
InChIKey
MUJWYIMVYGQRAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
101.52
TPSA
55.74

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
3.2
Consensus LogP
4.01
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

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