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CAS 91-02-1 2-Benzoylpyridine molecular structure lightbox
CAS RN: 91-02-1

2-Benzoylpyridine

  • Product code: SSC-203750
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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: 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 91-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 5 In Stock Hong Kong Inquiry
500g ≥95% 3 In Stock Beijing Inquiry
1000g ≥95% 1 In Stock Shenzhen Inquiry

91-02-1 / phenyl(pyridin-2-yl)methanone

Standard CAS: 91-02-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91-02-1
Multi CAS
No
Molecular Formula
C12H9NO
Molecular Weight
183.210000
Exact Mass
183.068414
InChI
InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
InChIKey
GCSHUYKULREZSJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Off-white crystalline chunks
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.11
TPSA
29.96

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.2

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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