![CAS 815581-79-4 2-[(2,2,6,6-Tetramethyl-1-piperidyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2908-jpgcontextbwfzdgvyfhjvb3r8ndqyndh8aw1hz2uvanblz3xoytyvadyylzg5mzi2ndk5mjy2odyvvdi5mdguanbnfdy3zmq5ywm1m2ywmzzimzazntgxzta4yji0y2e3m2jhm2jkyzhhztayzji5nmniodnjnzq2njyyodk5ogu1y2i.jpeg)
CAS RN: 815581-79-4
2-[(2,2,6,6-Tetramethyl-1-piperidyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-189951
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
815581-79-4 / [2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]boronic acid
Basic Information
CAS
815581-79-4
Multi CAS
No
Molecular Formula
BC16H26NO2
Molecular Weight
275.200000
Exact Mass
275.205659
InChI
InChI=1S/C16H26BNO2/c1-15(2)10-7-11-16(3,4)18(15)12-13-8-5-6-9-14(13)17(19)20/h5-6,8-9,19-20H,7,10-12H2,1-4H3
InChIKey
DOZVPMCVRDTTJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.82
TPSA
43.7
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1.91
Consensus LogP
1.84
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
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
1.5
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