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CAS 28467-92-7 alpha-ethylcinnamaldehyde molecular structure lightbox
CAS RN: 28467-92-7

alpha-ethylcinnamaldehyde

  • Product code: SSC-129834
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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 28467-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

28467-92-7 / 2-benzylidenebutanal

Standard CAS: 28467-92-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28467-92-7
Multi CAS
Yes
Molecular Formula
C11H12O
Molecular Weight
160.210000
Exact Mass
160.088815
InChI
InChI=1S/C11H12O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKey
BOCRJYUZWIOMOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.77
TPSA
17.07

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.8

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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