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CAS 1337881-42-1 7-Fluoro-2-Methyl-2H-indazole molecular structure lightbox
CAS RN: 1337881-42-1

7-Fluoro-2-Methyl-2H-indazole

  • Product code: SSC-040786
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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 1337881-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1337881-42-1 / 7-fluoro-2-methylindazole

Standard CAS: 1337881-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1337881-42-1
Multi CAS
No
Molecular Formula
C8H7FN2
Molecular Weight
150.150000
Exact Mass
150.059326
SMILES
CN1C=C2C=CC=C(C2=N1)F
InChI
InChI=1S/C8H7FN2/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-5H,1H3
InChIKey
NUFYTAZKXBYYMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
40.67
TPSA
17.82

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-2.42

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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