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CAS 34731-47-0 2-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo- molecular structure lightbox
CAS RN: 34731-47-0

2-Quinoxalinecarbonitrile, 3,4-dihydro-3-oxo-

  • Product code: SSC-141346
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34731-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

34731-47-0 / 3-oxo-4H-quinoxaline-2-carbonitrile

Standard CAS: 34731-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34731-47-0
Multi CAS
Yes
Molecular Formula
C9H5N3O
Molecular Weight
171.160000
Exact Mass
171.043262
InChI
InChI=1S/C9H5N3O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,(H,12,13)
InChIKey
CGLZJUVTVHUZLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.08
TPSA
69.54

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.2

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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