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CAS 194490-15-8 3-CYANO-5-FLUORO-1H-INDOLE molecular structure lightbox
CAS RN: 194490-15-8

3-CYANO-5-FLUORO-1H-INDOLE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250425 1g In stock Inquiry
Batchno.20250918 250mg In stock Inquiry
Batchno.20260207 5g In stock Inquiry
  • Product code: SSC-091770
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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: ＞97%
  • 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 194490-15-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

194490-15-8 / 5-fluoro-1H-indole-3-carbonitrile

Standard CAS: 194490-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194490-15-8
Multi CAS
No
Molecular Formula
C9H5FN2
Molecular Weight
160.150000
Exact Mass
160.043676
SMILES
C1=CC2=C(C=C1F)C(=CN2)C#N
InChI
InChI=1S/C9H5FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
InChIKey
OGJRYRXFDXWPHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.97
TPSA
39.58

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.15

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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