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CAS 54627-94-0 5-(1H-BENZOIMIDAZOL-2-YL)-PYRIDIN-2-OL molecular structure lightbox
CAS RN: 54627-94-0

5-(1H-BENZOIMIDAZOL-2-YL)-PYRIDIN-2-OL

  • Product code: SSC-162382
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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, 0.25g, 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 54627-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry

54627-94-0 / 5-(1H-benzimidazol-2-yl)-1H-pyridin-2-one

Standard CAS: 54627-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54627-94-0
Multi CAS
Yes
Molecular Formula
C12H9N3O
Molecular Weight
211.220000
Exact Mass
211.074562
InChI
InChI=1S/C12H9N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h1-7H,(H,13,16)(H,14,15)
InChIKey
SVRLGIZVNZPDAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.15
TPSA
61.54

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1
Consensus LogP
1.54
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.65

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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