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CAS 1352395-51-7 7-Fluoro-3-iodo-5-nitroindazole molecular structure lightbox
CAS RN: 1352395-51-7

7-Fluoro-3-iodo-5-nitroindazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-043270
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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 1352395-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1352395-51-7 / 7-fluoro-3-iodo-5-nitro-2H-indazole

Standard CAS: 1352395-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352395-51-7
Multi CAS
No
Molecular Formula
C7H3FIN3O2
Molecular Weight
307.020000
Exact Mass
306.925400
SMILES
C1=C(C=C(C2=NNC(=C21)I)F)[N+](=O)[O-]
InChI
InChI=1S/C7H3FIN3O2/c8-5-2-3(12(13)14)1-4-6(5)10-11-7(4)9/h1-2H,(H,10,11)
InChIKey
LXKOYGLPPQSSKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.42
TPSA
71.82

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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