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CAS 54355-99-6 2-Propenal, 3-(3-furanyl)-, (2E) molecular structure lightbox
CAS RN: 54355-99-6

2-Propenal, 3-(3-furanyl)-, (2E)

  • Product code: SSC-161990
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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 54355-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

54355-99-6 / (E)-3-(furan-3-yl)prop-2-enal

Standard CAS: 54355-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54355-99-6
Multi CAS
Yes
Molecular Formula
C7H6O2
Molecular Weight
122.120000
Exact Mass
122.036779
InChI
InChI=1S/C7H6O2/c8-4-1-2-7-3-5-9-6-7/h1-6H/b2-1+
InChIKey
BOKCWGRHHJZSOB-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.81
TPSA
30.21

LogP / Solubility

WLOGP
1.49
MLOGP
1.3
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.41

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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