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CAS 1935186-93-8 5-broMo-7-iodo-1H-indazol-3-aMine molecular structure lightbox
CAS RN: 1935186-93-8

5-broMo-7-iodo-1H-indazol-3-aMine

  • Product code: SSC-091030
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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 1935186-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1935186-93-8 / 5-bromo-7-iodo-1H-indazol-3-amine

Standard CAS: 1935186-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935186-93-8
Multi CAS
No
Molecular Formula
C7H5BrIN3
Molecular Weight
337.940000
Exact Mass
336.871160
SMILES
C1=C(C=C(C2=C1C(=NN2)N)I)Br
InChI
InChI=1S/C7H5BrIN3/c8-3-1-4-6(5(9)2-3)11-12-7(4)10/h1-2H,(H3,10,11,12)
InChIKey
JVPYZLHZBATMEP-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
60.92
TPSA
54.7

LogP / Solubility

WLOGP
2.51
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

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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