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CAS 628332-15-0 6-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE molecular structure lightbox
CAS RN: 628332-15-0

6-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE

  • Product code: SSC-172200
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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: ≥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 628332-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

628332-15-0 / 3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

Standard CAS: 628332-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628332-15-0
Multi CAS
No
Molecular Formula
C5F3H5N2O
Molecular Weight
166.100000
Exact Mass
166.035397
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)3-1-2-4(11)10-9-3/h1-2H2,(H,10,11)
InChIKey
IJGACGPBDXVCGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.87
TPSA
41.46

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.64
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.15

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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