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CAS 39499-62-2 6-(4-FLUOROPHENYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONE molecular structure lightbox
CAS RN: 39499-62-2

6-(4-FLUOROPHENYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONE

  • Product code: SSC-147148
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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 39499-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

39499-62-2 / 3-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one

Standard CAS: 39499-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39499-62-2
Multi CAS
No
Molecular Formula
C10FH9N2O
Molecular Weight
192.190000
Exact Mass
192.069891
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey
CKONBUGAZNEEMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.31
TPSA
41.46

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.87

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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