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CAS 17258-26-3 3-Chloro-4,6-diMethyl-py… molecular structure lightbox
CAS RN: 17258-26-3

3-Chloro-4,6-diMethyl-py…

  • Product code: SSC-075843
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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, 5g
  • 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 17258-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

17258-26-3 / 3-chloro-4,6-dimethylpyridazine

Standard CAS: 17258-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17258-26-3
Multi CAS
No
Molecular Formula
C6H7ClN2
Molecular Weight
142.580000
Exact Mass
142.029776
SMILES
CC1=CC(=NN=C1Cl)C
InChI
InChI=1S/C6H7ClN2/c1-4-3-5(2)8-9-6(4)7/h3H,1-2H3
InChIKey
CIBIWQSBPWNHNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
36.52
TPSA
25.78

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.35

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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