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CAS 1095539-84-6 6-Bromo-1,3-dimethyl-1H-indazole molecular structure lightbox
CAS RN: 1095539-84-6

6-Bromo-1,3-dimethyl-1H-indazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-010923
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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, 5g
  • 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 1095539-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1095539-84-6 / 6-bromo-1,3-dimethylindazole

6-Bromo-1,3-dimethyl-1H-indazole | 6-bromo-1,3-dimethylindazole | MFCD12028626

Standard CAS: 1095539-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095539-84-6
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=NN(C2=C1C=CC(=C2)Br)C
InChI
InChI=1S/C9H9BrN2/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,1-2H3
InChIKey
YBDYCDWCUXKYBT-UHFFFAOYSA-N
Synonyms
6-Bromo-1,3-dimethyl-1H-indazole 6-bromo-1,3-dimethylindazole MFCD12028626 6-Bromo-1,3-dimethyl-indazole SCHEMBL2144982

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
53.15
TPSA
17.82

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.22

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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