![CAS 2246843-54-7 2-[4-(4-Fluoro-2-methylbenzyloxy)-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246843-54-7.gif)
CAS RN: 2246843-54-7
2-[4-(4-Fluoro-2-methylbenzyloxy)-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109786
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2246843-54-7 / 2-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2246843-54-7
Multi CAS
No
Molecular Formula
C20H24BFO3
Molecular Weight
342.200000
Exact Mass
342.180253
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)C
InChI
InChI=1S/C20H24BFO3/c1-14-12-17(22)9-6-15(14)13-23-18-10-7-16(8-11-18)21-24-19(2,3)20(4,5)25-21/h6-12H,13H2,1-5H3
InChIKey
LPYKFDVNCVYDHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
97.63
TPSA
27.69
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
4.01
Consensus LogP
3.86
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
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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![CAS 2246878-23-7 2-((1,4-dioxaspiro[4.5]decan-8-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246878-23-7.gif)
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