CAS RN: 1892533-73-1
3-iodo-7-(trifluoromethyl)-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.20250805 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-088356
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1892533-73-1 / 3-iodo-7-(trifluoromethyl)-2H-indazole
Basic Information
CAS
1892533-73-1
Multi CAS
No
Molecular Formula
C8H4F3IN2
Molecular Weight
312.030000
Exact Mass
311.937130
SMILES
C1=CC2=C(NN=C2C(=C1)C(F)(F)F)I
InChI
InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(4)12/h1-3H,(H,13,14)
InChIKey
UIMQMUWZZHZEIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.81
TPSA
28.68
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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