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CAS 1783407-87-3 6-bromo-1-methyl-1H-indazol-5-amine molecular structure lightbox
CAS RN: 1783407-87-3

6-bromo-1-methyl-1H-indazol-5-amine

  • Product code: SSC-078846
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1783407-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

1783407-87-3 / 6-bromo-1-methylindazol-5-amine

Standard CAS: 1783407-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1783407-87-3
Multi CAS
No
Molecular Formula
C8H8BrN3
Molecular Weight
226.070000
Exact Mass
224.990160
SMILES
CN1C2=CC(=C(C=C2C=N1)N)Br
InChI
InChI=1S/C8H8BrN3/c1-12-8-3-6(9)7(10)2-5(8)4-11-12/h2-4H,10H2,1H3
InChIKey
XYHIAQOJNSIPRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.83
TPSA
43.84

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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