CAS RN: 1391123-54-8
6-Bromo-3-isopropyl-1H-indazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-049292
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: 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1391123-54-8 / 6-bromo-3-propan-2-yl-2H-indazole
Basic Information
CAS
1391123-54-8
Multi CAS
No
Molecular Formula
C10H11BrN2
Molecular Weight
239.110000
Exact Mass
238.010560
SMILES
CC(C)C1=C2C=CC(=CC2=NN1)Br
InChI
InChI=1S/C10H11BrN2/c1-6(2)10-8-4-3-7(11)5-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKey
BCOCEYNYPQTAGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.88
TPSA
28.68
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.73
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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