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CAS 585-48-8 2,6-Di-tert-butylpyridine molecular structure lightbox
CAS RN: 585-48-8

2,6-Di-tert-butylpyridine

  • Product code: SSC-166747
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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, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • 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 585-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 1 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Beijing Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry

585-48-8 / 2,6-ditert-butylpyridine

Standard CAS: 585-48-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
585-48-8
Multi CAS
Yes
Molecular Formula
C13H21N
Molecular Weight
191.310000
Exact Mass
191.167400
InChI
InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3
InChIKey
UWKQJZCTQGMHKD-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; [Merck Index] Clear, dark brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.64
TPSA
12.89

LogP / Solubility

WLOGP
3.68
MLOGP
3.23
XLogP3
4.1
Consensus LogP
3.67
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-1.28

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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