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CAS 99366-83-3 3-chloro-6-(2,2,2-trifluoroethoxy)pyridazine molecular structure lightbox
CAS RN: 99366-83-3

3-chloro-6-(2,2,2-trifluoroethoxy)pyridazine

  • Product code: SSC-213129
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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 99366-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99366-83-3 / 3-chloro-6-(2,2,2-trifluoroethoxy)pyridazine

Standard CAS: 99366-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99366-83-3
Multi CAS
No
Molecular Formula
C6H4CLF3N2O
Molecular Weight
212.560000
Exact Mass
211.996425
InChI
InChI=1S/C6H4ClF3N2O/c7-4-1-2-5(12-11-4)13-3-6(8,9)10/h1-2H,3H2
InChIKey
RGHZOVDMIHOECD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.59
TPSA
35.01

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.55

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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