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CAS 58826-39-4 6-Chloro-7-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine molecular structure lightbox
CAS RN: 58826-39-4

6-Chloro-7-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine

  • Product code: SSC-167163
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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 58826-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58826-39-4 / 6-chloro-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 58826-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58826-39-4
Multi CAS
No
Molecular Formula
C6H5CLN4
Molecular Weight
168.580000
Exact Mass
168.020274
InChI
InChI=1S/C6H5ClN4/c1-4-2-5-9-8-3-11(5)10-6(4)7/h2-3H,1H3
InChIKey
LQPOWKWRTDHADG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
40.53
TPSA
43.08

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-2.98

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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