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CAS 22282-80-0 4-chloro-2,5-diMethylpyridine molecular structure lightbox
CAS RN: 22282-80-0

4-chloro-2,5-diMethylpyridine

  • Product code: SSC-107932
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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
  • 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 22282-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

22282-80-0 / 4-chloro-2,5-dimethylpyridine

Standard CAS: 22282-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22282-80-0
Multi CAS
No
Molecular Formula
C7H8ClN
Molecular Weight
141.600000
Exact Mass
141.034527
SMILES
CC1=CC(=C(C=N1)C)Cl
InChI
InChI=1S/C7H8ClN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
InChIKey
PKEAPXXPQSPHFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
38.72
TPSA
12.89

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-1.91

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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