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CAS 56866-32-1 AKOS 269 molecular structure lightbox
CAS RN: 56866-32-1

AKOS 269

  • Product code: SSC-164900
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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 56866-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

56866-32-1 / 2-(3-phenylprop-2-enyl)isoindole-1,3-dione

Standard CAS: 56866-32-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56866-32-1
Multi CAS
Yes
Molecular Formula
C17H13NO2
Molecular Weight
263.290000
Exact Mass
263.094629
InChI
InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey
AUDPOCGNHFKZBR-RMKNXTFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
77.29
TPSA
37.38

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3.4
Consensus LogP
3.01
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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