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CAS 1214900-63-6 6-BroMo-4-fluoro-3-Methylindazole molecular structure lightbox
CAS RN: 1214900-63-6

6-BroMo-4-fluoro-3-Methylindazole

  • Product code: SSC-023965
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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: 0.25g
  • 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 1214900-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1214900-63-6 / 6-bromo-4-fluoro-3-methyl-2H-indazole

Standard CAS: 1214900-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214900-63-6
Multi CAS
No
Molecular Formula
C8H6BrFN2
Molecular Weight
229.050000
Exact Mass
227.969840
SMILES
CC1=C2C(=CC(=CC2=NN1)Br)F
InChI
InChI=1S/C8H6BrFN2/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)
InChIKey
GRCZRZKMGJKLAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.49
TPSA
28.68

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.15

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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