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CAS 915402-03-8 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylethynyl-trimethylsilane molecular structure lightbox
CAS RN: 915402-03-8

3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylethynyl-trimethylsilane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS915402-03-8
  • Purity/Analytical Methods: >99.0%
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915402-03-8 / trimethyl-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane

Standard CAS: 915402-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915402-03-8
Multi CAS
No
Molecular Formula
BC17H25O2Si
Molecular Weight
300.300000
Exact Mass
300.171687
InChI
InChI=1S/C17H25BO2Si/c1-16(2)17(3,4)20-18(19-16)15-10-8-9-14(13-15)11-12-21(5,6)7/h8-10,13H,1-7H3
InChIKey
LDKJXCOLGXLWKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
92.38
TPSA
18.46

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-2.27

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
2.5

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