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CAS 235-06-3 1,2,4-TRIAZOLO[4,3-A]QUINOLINE molecular structure lightbox
CAS RN: 235-06-3

1,2,4-TRIAZOLO[4,3-A]QUINOLINE

  • Product code: SSC-113547
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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 235-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

235-06-3 / [1,2,4]triazolo[4,3-a]quinoline

Standard CAS: 235-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235-06-3
Multi CAS
No
Molecular Formula
C10H7N3
Molecular Weight
169.180000
Exact Mass
169.063997
SMILES
C1=CC=C2C(=C1)C=CC3=NN=CN32
InChI
InChI=1S/C10H7N3/c1-2-4-9-8(3-1)5-6-10-12-11-7-13(9)10/h1-7H
InChIKey
PIRYKGLQLCKQPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
3
Molar refractivity
50.49
TPSA
30.19

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
2.5
Consensus LogP
2.01
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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