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CAS 1082041-49-3 6-Cyano-4-fluoro (1H)indazole molecular structure lightbox
CAS RN: 1082041-49-3

6-Cyano-4-fluoro (1H)indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009443
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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 1082041-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1082041-49-3 / 4-fluoro-1H-indazole-6-carbonitrile

4-fluoro-1H-indazole-6-carbonitrile | MFCD11007865 | SCHEMBL31200266

Standard CAS: 1082041-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082041-49-3
Multi CAS
No
Molecular Formula
C8H4FN3
Molecular Weight
161.140000
Exact Mass
161.038925
SMILES
C1=C(C=C(C2=C1NN=C2)F)C#N
InChI
InChI=1S/C8H4FN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChIKey
BCQVWWDXMRSTJP-UHFFFAOYSA-N
Synonyms
4-fluoro-1H-indazole-6-carbonitrile MFCD11007865 SCHEMBL31200266 SCHEMBL31317263 HTB04149

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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