CAS RN: 269410-26-6
4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
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.20260403 | 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-125406
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: 5g, 1g, 10g, 25g, 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
269410-26-6 / 4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
Basic Information
CAS
269410-26-6
Multi CAS
No
Molecular Formula
C18H21BO3
Molecular Weight
296.200000
Exact Mass
296.158375
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H21BO3/c1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey
SFCRPRMZQXUXOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.67
TPSA
27.69
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.78
Consensus LogP
3.63
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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