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CAS 1092351-49-9 5-Amino-3-bromo-1-methylindazole molecular structure lightbox
CAS RN: 1092351-49-9

5-Amino-3-bromo-1-methylindazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-010396
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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: ＞97%
  • 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 1092351-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1092351-49-9 / 3-bromo-1-methylindazol-5-amine

3-Bromo-1-methyl-1H-indazol-5-amine | 5-AMINO-3-BROMO-1-METHYLINDAZOLE | 3-Bromo-1-methyl-1H-indazol-5-ylamine

Standard CAS: 1092351-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092351-49-9
Multi CAS
No
Molecular Formula
C8H8BrN3
Molecular Weight
226.070000
Exact Mass
224.990160
SMILES
CN1C2=C(C=C(C=C2)N)C(=N1)Br
InChI
InChI=1S/C8H8BrN3/c1-12-7-3-2-5(10)4-6(7)8(9)11-12/h2-4H,10H2,1H3
InChIKey
AANSJHKJTNWLNA-UHFFFAOYSA-N
Synonyms
3-Bromo-1-methyl-1H-indazol-5-amine 5-AMINO-3-BROMO-1-METHYLINDAZOLE 3-Bromo-1-methyl-1H-indazol-5-ylamine 3-bromo-1-methylindazol-5-amine MFCD11100026

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
1.9
Consensus LogP
1.84
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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