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CAS 17930-02-8 2-(4-CYANOPHENYL)BENZOTHIAZOLE molecular structure lightbox
CAS RN: 17930-02-8

2-(4-CYANOPHENYL)BENZOTHIAZOLE

  • Product code: SSC-079877
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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, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 17930-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

17930-02-8 / 4-(1,3-benzothiazol-2-yl)benzonitrile

Standard CAS: 17930-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17930-02-8
Multi CAS
No
Molecular Formula
C14H8N2S
Molecular Weight
236.290000
Exact Mass
236.040819
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
InChIKey
FOURLJNIFQPOFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.77
TPSA
36.68

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
4
Consensus LogP
3.74
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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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