CAS RN: 1578484-07-7
1-(oxetan-3-ylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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.20250520 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-066574
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
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1578484-07-7 / 1-(oxetan-3-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Basic Information
CAS
1578484-07-7
Multi CAS
No
Molecular Formula
C13H21BN2O3
Molecular Weight
264.130000
Exact Mass
264.164523
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3COC3
InChI
InChI=1S/C13H21BN2O3/c1-12(2)13(3,4)19-14(18-12)11-5-15-16(7-11)6-10-8-17-9-10/h5,7,10H,6,8-9H2,1-4H3
InChIKey
ZMVOVSFKXFUUFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
72.25
TPSA
45.51
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-3.74
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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