CAS RN: 1935558-98-7
4-bromo-7-chloro-6-fluoro-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.20250131 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-091176
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1935558-98-7 / 4-bromo-7-chloro-6-fluoro-1H-indazole
Basic Information
CAS
1935558-98-7
Multi CAS
No
Molecular Formula
C7H3BrClFN2
Molecular Weight
249.470000
Exact Mass
247.915220
SMILES
C1=C(C(=C2C(=C1Br)C=NN2)Cl)F
InChI
InChI=1S/C7H3BrClFN2/c8-4-1-5(10)6(9)7-3(4)2-11-12-7/h1-2H,(H,11,12)
InChIKey
FFUFQPHQBDTNDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.76
TPSA
28.68
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.03
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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