CAS RN: 850568-54-6
4-(tert-Butoxycarbonyl)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.20260307 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-193026
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, 500g
- 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 | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 4 In Stock | Shanghai | Inquiry |
| 500g | >95% | 0 Out of Stock | Beijing | Inquiry |
850568-54-6 / [4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
Basic Information
CAS
850568-54-6
Multi CAS
Yes
Molecular Formula
BC11H15O4
Molecular Weight
222.050000
Exact Mass
222.106339
InChI
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7,14-15H,1-3H3
InChIKey
QMVMDYSTJSUDKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.44
TPSA
66.76
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-3.85
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-tert-Butylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 560132-24-3
- Product Code: SSC-163993
-
4-tert-Butylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 123324-71-0
- Product Code: SSC-026975
-
2-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 213211-69-9
- Product Code: SSC-101806
-
4-(Ethoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 4334-88-7
- Product Code: SSC-151602
-
2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 214360-58-4
- Product Code: SSC-102776
-
2-(Ethoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 380430-53-5
- Product Code: SSC-145512
