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CAS 1539-48-6 2,4,6-Trimethylpyridine-3,5-dicarbonitrile molecular structure lightbox
CAS RN: 1539-48-6

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

  • Product code: SSC-063291
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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: ≥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 1539-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1539-48-6 / 2,4,6-trimethylpyridine-3,5-dicarbonitrile

Standard CAS: 1539-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1539-48-6
Multi CAS
No
Molecular Formula
C10H9N3
Molecular Weight
171.200000
Exact Mass
171.079647
SMILES
CC1=C(C(=NC(=C1C#N)C)C)C#N
InChI
InChI=1S/C10H9N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h1-3H3
InChIKey
MNGNULZKYYIOBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
3
Molar refractivity
47.88
TPSA
60.47

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

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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