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CAS 51791-26-5 4-FLUOROCINNAMALDEHYDE molecular structure lightbox
CAS RN: 51791-26-5

4-FLUOROCINNAMALDEHYDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 1g In stock Shanghai, Shandong Inquiry
Batchno.20250108 25g In stock Shanghai Inquiry
Batchno.20250921 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-158760
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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: ≥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 51791-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

51791-26-5 / (E)-3-(4-fluorophenyl)prop-2-enal

Standard CAS: 51791-26-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51791-26-5
Multi CAS
Yes
Molecular Formula
C9FH7O
Molecular Weight
150.150000
Exact Mass
150.048093
InChI
InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey
YSIYEWBILJZDQH-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.5
TPSA
17.07

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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