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CAS 23148-51-8 6-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-Pyridinecarbonitrile molecular structure lightbox
CAS RN: 23148-51-8

6-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-Pyridinecarbonitrile

  • Product code: SSC-112663
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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, 5g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 23148-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Beijing Inquiry

23148-51-8 / 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

Standard CAS: 23148-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23148-51-8
Multi CAS
No
Molecular Formula
C12H7ClN2O
Molecular Weight
230.650000
Exact Mass
230.024691
SMILES
C1=CC(=CC=C1C2=CC=C(C(=O)N2)C#N)Cl
InChI
InChI=1S/C12H7ClN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,(H,15,16)
InChIKey
JZMASTOHXMIBJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.22
TPSA
56.65

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

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

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