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CAS 191228-36-1 2-(quinolin-8-yl)acetaldehyde molecular structure lightbox
CAS RN: 191228-36-1

2-(quinolin-8-yl)acetaldehyde

  • Product code: SSC-089607
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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: 0.1g, 0.25g, 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 191228-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

191228-36-1 / 2-quinolin-8-ylacetaldehyde

Standard CAS: 191228-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191228-36-1
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
C1=CC2=C(C(=C1)CC=O)N=CC=C2
InChI
InChI=1S/C11H9NO/c13-8-6-10-4-1-3-9-5-2-7-12-11(9)10/h1-5,7-8H,6H2
InChIKey
KMQUEYCXLBJMET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.51
TPSA
29.96

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2.5
Consensus LogP
2.07
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

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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