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CAS 1352393-90-8 5-fluoro-7-Methyl-1H-indazole-3-carbaldehyde molecular structure lightbox
CAS RN: 1352393-90-8

5-fluoro-7-Methyl-1H-indazole-3-carbaldehyde

  • Product code: SSC-043257
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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 1352393-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1352393-90-8 / 5-fluoro-7-methyl-2H-indazole-3-carbaldehyde

Standard CAS: 1352393-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352393-90-8
Multi CAS
No
Molecular Formula
C9H7FN2O
Molecular Weight
178.160000
Exact Mass
178.054241
SMILES
CC1=CC(=CC2=C(NN=C12)C=O)F
InChI
InChI=1S/C9H7FN2O/c1-5-2-6(10)3-7-8(4-13)11-12-9(5)7/h2-4H,1H3,(H,11,12)
InChIKey
ZLNCLRPPDDKUQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.18
TPSA
45.75

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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