CAS RN: 1426082-73-6
(4-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PHENYL)BORONIC 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.20250628 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1426082-73-6
- Purity/Analytical Methods: >99.0%
1426082-73-6 / 2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Basic Information
CAS
1426082-73-6
Multi CAS
No
Molecular Formula
C14H18BF3O3
Molecular Weight
302.100000
Exact Mass
302.130109
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(F)(F)F)O
InChI
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-9(6-8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3
InChIKey
VBXSVIYLABOQFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.17
TPSA
38.69
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
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
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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