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CAS 142266-66-8 2,5-Dichloro-4,6-dimethylnicotinic acid molecular structure lightbox
CAS RN: 142266-66-8

2,5-Dichloro-4,6-dimethylnicotinic acid

  • Product code: SSC-053066
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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: 5g, 0.25g, 1g, 0.1g
  • Available purity: ≥97%
  • 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 142266-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 3 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Shanghai Inquiry
1g ≥97% 2 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry

142266-66-8 / 2,5-dichloro-4,6-dimethylpyridine-3-carboxylic acid

Standard CAS: 142266-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142266-66-8
Multi CAS
No
Molecular Formula
C8H7Cl2NO2
Molecular Weight
220.050000
Exact Mass
218.985384
SMILES
CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)O
InChI
InChI=1S/C8H7Cl2NO2/c1-3-5(8(12)13)7(10)11-4(2)6(3)9/h1-2H3,(H,12,13)
InChIKey
QJUGBRJQIHDUNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.69
TPSA
50.19

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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