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CAS 1159511-89-3 5-bromo-2,4-dimethyl-2H-indazole molecular structure lightbox
CAS RN: 1159511-89-3

5-bromo-2,4-dimethyl-2H-indazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-015780
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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 1159511-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159511-89-3 / 5-bromo-2,4-dimethylindazole

4-Bromo-2,5-dimethyl-2H-indazole | 4-bromo-2,5-dimethylindazole | MFCD12028631

Standard CAS: 1159511-89-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159511-89-3
Multi CAS
Yes
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=C(C=CC2=NN(C=C12)C)Br
InChI
InChI=1S/C9H9BrN2/c1-6-7-5-12(2)11-9(7)4-3-8(6)10/h3-5H,1-2H3
InChIKey
CJUCAYMTGYRYEH-UHFFFAOYSA-N
Synonyms
4-Bromo-2,5-dimethyl-2H-indazole 4-bromo-2,5-dimethylindazole MFCD12028631 2H-Indazole, 4-bromo-2,5-dimethyl- 4-bromo-2,5-dimethyl-indazole

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
2.6
Consensus LogP
2.52
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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