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CAS 29334-67-6 3-CHLORO-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PYRIDAZINE molecular structure lightbox
CAS RN: 29334-67-6

3-CHLORO-6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PYRIDAZINE

  • Product code: SSC-132011
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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: 5g
  • Available purity: ＞97%
  • 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 29334-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

29334-67-6 / 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine

Standard CAS: 29334-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29334-67-6
Multi CAS
No
Molecular Formula
C9H9CLN4
Molecular Weight
208.650000
Exact Mass
208.051574
InChI
InChI=1S/C9H9ClN4/c1-6-5-7(2)14(13-6)9-4-3-8(10)11-12-9/h3-5H,1-2H3
InChIKey
OVXSFTFBSBIDMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.64
TPSA
43.6

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

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