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CAS 72093-11-9 2-Chloro-3,4-dimethylpyridine molecular structure lightbox
CAS RN: 72093-11-9

2-Chloro-3,4-dimethylpyridine

  • Product code: SSC-181636
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72093-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

72093-11-9 / 2-chloro-3,4-dimethylpyridine

Standard CAS: 72093-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72093-11-9
Multi CAS
No
Molecular Formula
C7H8CLN
Molecular Weight
141.600000
Exact Mass
141.034527
InChI
InChI=1S/C7H8ClN/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3
InChIKey
HYULJNAYJIWKQA-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
2.5
Consensus LogP
2.3
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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