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CAS 35982-98-0 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE molecular structure lightbox
CAS RN: 35982-98-0

5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

  • Product code: SSC-143070
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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: 0.1g, 1g, 5g, 0.25g
  • 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 35982-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

35982-98-0 / 5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

Standard CAS: 35982-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35982-98-0
Multi CAS
Yes
Molecular Formula
C12H7CLN2O
Molecular Weight
230.650000
Exact Mass
230.024691
InChI
InChI=1S/C12H7ClN2O/c13-11-3-1-8(2-4-11)10-5-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16)
InChIKey
ZZPSWSVVNQNXJE-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
1.9
Consensus LogP
2.24
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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