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CAS 1626336-65-9 7-Bromo-4-chloro-1H-indazol-3-ylamine molecular structure lightbox
CAS RN: 1626336-65-9

7-Bromo-4-chloro-1H-indazol-3-ylamine

  • Product code: SSC-070048
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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 1626336-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1626336-65-9 / 7-bromo-4-chloro-1H-indazol-3-amine

Standard CAS: 1626336-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1626336-65-9
Multi CAS
No
Molecular Formula
C7H5BrClN3
Molecular Weight
246.490000
Exact Mass
244.935540
SMILES
C1=CC(=C2C(=C1Cl)C(=NN2)N)Br
InChI
InChI=1S/C7H5BrClN3/c8-3-1-2-4(9)5-6(3)11-12-7(5)10/h1-2H,(H3,10,11,12)
InChIKey
IQJRJSKDZJKCIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.22
TPSA
54.7

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.41

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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