![CAS 380430-68-2 3-[(tert-Butoxycarbonyl)amino]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4279-jpgcontextbwfzdgvyfhjvb3r8mzm4mth8aw1hz2uvanblz3xonzmvadeylzg5mjkwndi2mjg2mzgvqjqynzkuanbnfdrhnty2mgexyzg1nzhlngyyotk0nmq5ngzlotu1zdm3ytvmota2y2rjn2ezn2u4yjywyzuxothlyji1zgyyngu.jpeg)
CAS RN: 380430-68-2
3-[(tert-Butoxycarbonyl)amino]phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-145522
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, 5g, 10g, 25g, 100g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
380430-68-2 / [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
Basic Information
CAS
380430-68-2
Multi CAS
Yes
Molecular Formula
BC11H16NO4
Molecular Weight
237.060000
Exact Mass
237.117238
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChIKey
CWLNHPXWZRALFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.12
TPSA
78.79
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.66
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
-
3-Butoxyphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 352534-81-7
- Product Code: SSC-142194
-
4-Biphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 5122-94-1
- Product Code: SSC-158055
-
4-Butoxyphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 105365-51-3
- Product Code: SSC-007093
-
2-[7-(tert-Butyl)pyren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1270030-08-4
- Product Code: SSC-034397
-
2-Biphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 4688-76-0
- Product Code: SSC-154035
-
![CAS 1270030-08-4 2-[7-(tert-Butyl)pyren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5489-jpgcontextbwfzdgvyfhjvb3r8mzmzntz8aw1hz2uvanblz3xoodivadhjlzg5mjkymdm5mti3mzqvqju0odkuanbnfdi1njk2yzu1nwe2otllzwexyjlinzezywexmwzkmdjlzjrmntk5yznmnmzmmjmyzgq3nje4mjllndjkotrmnza.jpeg)
