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CAS 89570-57-0 4,5-DICHLORO-2-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PYRIDAZIN-3(2H)-ONE molecular structure lightbox
CAS RN: 89570-57-0

4,5-DICHLORO-2-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PYRIDAZIN-3(2H)-ONE

  • Product code: SSC-201569
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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: 0.25g
  • 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 89570-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

89570-57-0 / 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

Standard CAS: 89570-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89570-57-0
Multi CAS
No
Molecular Formula
C10H4CL2F3N3O
Molecular Weight
310.060000
Exact Mass
308.968352
InChI
InChI=1S/C10H4Cl2F3N3O/c11-6-4-17-18(9(19)8(6)12)7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChIKey
IFVQWALTALBCFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.65
TPSA
47.78

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.82
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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