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CAS 878499-08-2 2-(Pyridin-4-yl)acetaldehyde molecular structure lightbox
CAS RN: 878499-08-2

2-(Pyridin-4-yl)acetaldehyde

  • Product code: SSC-198197
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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 878499-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

878499-08-2 / 2-pyridin-4-ylacetaldehyde

Standard CAS: 878499-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
878499-08-2
Multi CAS
No
Molecular Formula
C7H7NO
Molecular Weight
121.140000
Exact Mass
121.052764
InChI
InChI=1S/C7H7NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-6H,3H2
InChIKey
AZTCLKFBAGFZRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
34
TPSA
29.96

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.87

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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