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CAS 81265-90-9 2-(4-Fluorophenyl)-2H-indazole molecular structure lightbox
CAS RN: 81265-90-9

2-(4-Fluorophenyl)-2H-indazole

  • Product code: SSC-189786
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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 81265-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

81265-90-9 / 2-(4-fluorophenyl)indazole

Standard CAS: 81265-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81265-90-9
Multi CAS
No
Molecular Formula
C13FH9N2
Molecular Weight
212.220000
Exact Mass
212.074976
InChI
InChI=1S/C13H9FN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H
InChIKey
XESDDYSPKWRMMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.03
TPSA
17.82

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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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