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CAS 171809-14-6 3-Amino-7-fluoro-1-methyl-1H-indazole molecular structure lightbox
CAS RN: 171809-14-6

3-Amino-7-fluoro-1-methyl-1H-indazole

  • Product code: SSC-075616
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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 171809-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

171809-14-6 / 7-fluoro-1-methylindazol-3-amine

Standard CAS: 171809-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
171809-14-6
Multi CAS
No
Molecular Formula
C8H8FN3
Molecular Weight
165.170000
Exact Mass
165.070225
SMILES
CN1C2=C(C=CC=C2F)C(=N1)N
InChI
InChI=1S/C8H8FN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11)
InChIKey
YTDIFLCLNBYPMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.08
TPSA
43.84

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.81

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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