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CAS 1159511-86-0 4-bromo-2,5-dimethyl-2H-indazole molecular structure lightbox
CAS RN: 1159511-86-0

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-015779
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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 1159511-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1159511-86-0 / 4-bromo-2,5-dimethylindazole

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

Standard CAS: 1159511-86-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159511-86-0
Multi CAS
Yes
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=C(C2=CN(N=C2C=C1)C)Br
InChI
InChI=1S/C9H9BrN2/c1-6-3-4-8-7(9(6)10)5-12(2)11-8/h3-5H,1-2H3
InChIKey
QHLAFXZSLHLHOT-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

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