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CAS 1408058-17-2 4-Fluoro-1H-indazole-7-carbonitrile molecular structure lightbox
CAS RN: 1408058-17-2

4-Fluoro-1H-indazole-7-carbonitrile

  • Product code: SSC-051302
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408058-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1408058-17-2 / 4-fluoro-1H-indazole-7-carbonitrile

Standard CAS: 1408058-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408058-17-2
Multi CAS
No
Molecular Formula
C8H4FN3
Molecular Weight
161.140000
Exact Mass
161.038925
SMILES
C1=CC(=C2C=NNC2=C1C#N)F
InChI
InChI=1S/C8H4FN3/c9-7-2-1-5(3-10)8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChIKey
CALJWEONZADKAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.77
TPSA
52.47

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-2.59

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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