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CAS 1243472-33-4 1H-Indazole, 6-broMo-3-chloro-1-Methyl- molecular structure lightbox
CAS RN: 1243472-33-4

1H-Indazole, 6-broMo-3-chloro-1-Methyl-

  • Product code: SSC-028289
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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 1243472-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1243472-33-4 / 6-bromo-3-chloro-1-methylindazole

Standard CAS: 1243472-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243472-33-4
Multi CAS
No
Molecular Formula
C8H6BrClN2
Molecular Weight
245.500000
Exact Mass
243.940290
SMILES
CN1C2=C(C=CC(=C2)Br)C(=N1)Cl
InChI
InChI=1S/C8H6BrClN2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKey
RHTHXDOLGOEEAY-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
53.42
TPSA
17.82

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.1

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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