CAS RN: 1150271-36-5
3-(t-Butyldimethysilyloxy)-5-trifluoromethoxyphenylboronic acid,pinacol ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1150271-36-5
- Purity/Analytical Methods: >99.0%
1150271-36-5 / tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenoxy]silane
3-(t-Butyldimethysilyloxy)-5-trifluoromethoxyphenylboronic acid, pinacol ester | tert-Butyldimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenoxy)silane | MFCD12026067
Basic Information
CAS
1150271-36-5
Multi CAS
Yes
Molecular Formula
C19H30BF3O4Si
Molecular Weight
418.300000
Exact Mass
418.195851
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O[Si](C)(C)C(C)(C)C)OC(F)(F)F
InChI
InChI=1S/C19H30BF3O4Si/c1-16(2,3)28(8,9)25-15-11-13(10-14(12-15)24-19(21,22)23)20-26-17(4,5)18(6,7)27-20/h10-12H,1-9H3
InChIKey
HRJDVIZLZYOVBZ-UHFFFAOYSA-N
Synonyms
3-(t-Butyldimethysilyloxy)-5-trifluoromethoxyphenylboronic acid, pinacol ester
tert-Butyldimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenoxy)silane
MFCD12026067
tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenoxy]silane
1,3,2-Dioxaborolane, 2-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
106.67
TPSA
36.92
LogP / Solubility
WLOGP
5.27
MLOGP
4.66
XLogP3
5.27
Consensus LogP
5.07
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
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)
-1.53
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
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