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CAS 53475-53-9 2-(benzyloxy)-4,6-dimethylpyridine-3-carbonitrile molecular structure lightbox
CAS RN: 53475-53-9

2-(benzyloxy)-4,6-dimethylpyridine-3-carbonitrile

  • Product code: SSC-160825
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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, 5g
  • Available purity: ≥97%
  • 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 53475-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry

53475-53-9 / 4,6-dimethyl-2-phenylmethoxypyridine-3-carbonitrile

Standard CAS: 53475-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53475-53-9
Multi CAS
No
Molecular Formula
C15H14N2O
Molecular Weight
238.280000
Exact Mass
238.110613
InChI
InChI=1S/C15H14N2O/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChIKey
FQKNEAIDZDYFNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.2
TPSA
45.91

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.1
Consensus LogP
3.01
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.94

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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