CAS RN: 2374153-25-8
1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazol-4-ylboronic acid
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.20250410 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-115347
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
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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2374153-25-8 / [1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]boronic acid
Basic Information
CAS
2374153-25-8
Multi CAS
No
Molecular Formula
C13H14BF3N2O3
Molecular Weight
314.070000
Exact Mass
314.104957
SMILES
B(C1=C(C=CC2=C1C=NN2C3CCCCO3)C(F)(F)F)(O)O
InChI
InChI=1S/C13H14BF3N2O3/c15-13(16,17)9-4-5-10-8(12(9)14(20)21)7-18-19(10)11-3-1-2-6-22-11/h4-5,7,11,20-21H,1-3,6H2
InChIKey
BBKJULLPGUPACE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.4
TPSA
67.51
LogP / Solubility
WLOGP
1.43
MLOGP
1.28
XLogP3
1.43
Consensus LogP
1.38
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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