CAS RN: 1247000-92-5
4-(1-Methyl-4-piperidyl)phenylboronic Acid Pinacol Ester
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.20260609 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-028819
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: 1g, 10g, 0.1g, 0.25g, 5g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1247000-92-5 / 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
Basic Information
CAS
1247000-92-5
Multi CAS
No
Molecular Formula
C18H28BNO2
Molecular Weight
301.200000
Exact Mass
301.221309
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCN(CC3)C
InChI
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-8-6-14(7-9-16)15-10-12-20(5)13-11-15/h6-9,15H,10-13H2,1-5H3
InChIKey
UMZNHRTZPNOQHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.63
TPSA
21.7
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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