CAS RN: 396131-82-1
(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-147311
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
396131-82-1 / 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Basic Information
CAS
396131-82-1
Multi CAS
Yes
Molecular Formula
BC14H18NO2
Molecular Weight
243.110000
Exact Mass
243.143059
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
InChIKey
LIWPKYSGWSFPEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.48
TPSA
42.25
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4,5,6,7-tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine
- CAS RN: 396133-34-9
- Product Code: starshine_CAS396133-34-9
- Purity/Analytical method: >99.0%
-
R-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 396134-73-9
- Product Code: SSC-147313
-
Methyl 1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate
- CAS RN: 396652-38-3
- Product Code: SSC-147373
-
tert-butyl 1,1-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
- CAS RN: 396653-31-9
- Product Code: SSC-147374
-
![CAS 396133-34-9 4,5,6,7-tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/396133-34-9.gif)
![CAS 396134-73-9 R-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/396134-73-9.gif)
![CAS 396653-31-9 tert-butyl 1,1-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/396653-31-9.gif)
