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CAS 23395-72-4 quinoline-6-carbonitrile molecular structure lightbox
CAS RN: 23395-72-4

quinoline-6-carbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113128
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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: 1g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 23395-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

23395-72-4 / quinoline-6-carbonitrile

Standard CAS: 23395-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23395-72-4
Multi CAS
No
Molecular Formula
C10H6N2
Molecular Weight
154.170000
Exact Mass
154.053098
SMILES
C1=CC2=C(C=CC(=C2)C#N)N=C1
InChI
InChI=1S/C10H6N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H
InChIKey
NIFLNJLWZZABMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
46.46
TPSA
36.68

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.16

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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