CAS RN: 1294009-25-8
2-trifluoroMethyl-trans-beta-styrylboronic acid pinacol ester
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.20260122 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-036442
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 | Hong Kong | Inquiry |
1294009-25-8 / 4,4,5,5-tetramethyl-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
Basic Information
CAS
1294009-25-8
Multi CAS
No
Molecular Formula
C15H18BF3O2
Molecular Weight
298.110000
Exact Mass
298.135195
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-7-5-6-8-12(11)15(17,18)19/h5-10H,1-4H3/b10-9+
InChIKey
AIZXRYDBPGYTGI-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
76.56
TPSA
18.46
LogP / Solubility
WLOGP
4.35
MLOGP
3.84
XLogP3
4.35
Consensus LogP
4.18
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
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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