![CAS 1073354-87-6 E-2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]VINYLBORONIC ACID PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073354-87-6.gif)
CAS RN: 1073354-87-6
E-2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]VINYLBORONIC ACID PINACOL ESTER
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.20250131 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-008921
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 | Shanghai | Inquiry |
1073354-87-6 / 2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-((1E)-2-(3,5-Bis(trifluoromethyl)phenyl)ethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-[(1E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | RefChem:249133
Basic Information
CAS
1073354-87-6
Multi CAS
Yes
Molecular Formula
C16H17BF6O2
Molecular Weight
366.100000
Exact Mass
366.122579
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H17BF6O2/c1-13(2)14(3,4)25-17(24-13)6-5-10-7-11(15(18,19)20)9-12(8-10)16(21,22)23/h5-9H,1-4H3/b6-5+
InChIKey
FNYGUDITBZMNGD-AATRIKPKSA-N
Synonyms
2-((1E)-2-(3,5-Bis(trifluoromethyl)phenyl)ethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[(1E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
RefChem:249133
(E)-2-(3,5-Bis(trifluoromethyl)styryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
E-2-[3,5-Bis(trifluoromethyl)phenyl]vinylboronic acid pinacol ester
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
81.56
TPSA
18.46
LogP / Solubility
WLOGP
5.37
MLOGP
4.74
XLogP3
5.37
Consensus LogP
5.16
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
E-2-(3-TRIFLUOROMETHYLPHENYL)VINYLBORONIC ACID PINACOL ESTER
- CAS RN: 1073354-88-7
- Product Code: starshine_CAS1073354-88-7
- Purity/Analytical method: >99.0%
-
-
3-AMINO-2-CHLOROPYRIDINE-5-BORONIC ACID, PINACOL ESTER
- CAS RN: 1073354-96-7
- Product Code: SSC-008923
-
2-AMINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER
- CAS RN: 1073354-97-8
- Product Code: SSC-008924
-
5-AMINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER
- CAS RN: 1073354-99-0
- Product Code: SSC-008925
-
2-((tert-Butyldimethylsilanyl)ethynyl)-4,4,5,5-tetramethyl-(1,3,2)dioxaborolane
- CAS RN: 1073355-02-8
- Product Code: SSC-008926
