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CAS 1781864-19-4 7-Bromo-5-fluoro-1-methyl-1H-indazole molecular structure lightbox
CAS RN: 1781864-19-4

7-Bromo-5-fluoro-1-methyl-1H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-078502
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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 1781864-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1781864-19-4 / 7-bromo-5-fluoro-1-methylindazole

Standard CAS: 1781864-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1781864-19-4
Multi CAS
No
Molecular Formula
C8H6BrFN2
Molecular Weight
229.050000
Exact Mass
227.969840
SMILES
CN1C2=C(C=C(C=C2Br)F)C=N1
InChI
InChI=1S/C8H6BrFN2/c1-12-8-5(4-11-12)2-6(10)3-7(8)9/h2-4H,1H3
InChIKey
UMRBIGHGWSACLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
48.37
TPSA
17.82

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

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