CAS RN: 833486-94-5
2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251030 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250820 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260504 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260120 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-191225
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
833486-94-5 / 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Basic Information
CAS
833486-94-5
Multi CAS
Yes
Molecular Formula
BC12H17N2O4
Molecular Weight
264.090000
Exact Mass
264.128137
InChI
InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3
InChIKey
QOYJKGGBFKVKDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.22
TPSA
87.62
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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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![CAS 797755-07-8 2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3754-jpgcontextbwfzdgvyfhjvb3r8mza3mdr8aw1hz2uvanblz3xoyzmvadi5lzg5mzi3mjiymti4otqvvdm3ntquanbnfduzzgi5mty4ymfmztfjmzk4ndfkogzhztrjowi4nde0nwfhmjyxndmzy2uzn2eyzjvlnty5odg1zwfmmdi4ndu.jpeg)
