![CAS 2246897-95-8 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}-1λ-thiane-1,1-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB73356497.gif)
CAS RN: 2246897-95-8
4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}-1λ-thiane-1,1-dione
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.20250214 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109799
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 | Beijing | Inquiry |
2246897-95-8 / 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]thiane 1,1-dioxide
Basic Information
CAS
2246897-95-8
Multi CAS
No
Molecular Formula
C15H25BN2O4S
Molecular Weight
340.300000
Exact Mass
340.162809
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CCS(=O)(=O)CC3
InChI
InChI=1S/C15H25BN2O4S/c1-14(2)15(3,4)22-16(21-14)13-9-17-18(11-13)10-12-5-7-23(19,20)8-6-12/h9,11-12H,5-8,10H2,1-4H3
InChIKey
UWTHLLRVMHWBCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
89.32
TPSA
70.42
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-4.08
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
2.5
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