CAS RN: 475250-52-3
2-(4-Methoxybenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-154503
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, 10g, 0.25g, 5g, 25g
- Available purity: >95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 4 In Stock | Beijing | Inquiry |
| 10g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
475250-52-3 / 2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
475250-52-3
Multi CAS
Yes
Molecular Formula
BC14H21O3
Molecular Weight
248.130000
Exact Mass
248.158375
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
InChIKey
HPNLRRQVSZVKHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.78
TPSA
27.69
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.2
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
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![CAS 852227-95-3 4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3237-jpgcontextbwfzdgvyfhjvb3r8mzuyotv8aw1hz2uvanblz3xoytyvadbhlzg5mzi2njy2mzgznjyvvdmymzcuanbnfgmzowq5zjc1ymuzndm4zta2nmy3nta0zwu0zmuznwmxmmi3ymm2m2viythmnzcxnde1mwnhmzrhy2q3mziyy2e.jpeg)
