CAS RN: 271242-20-7
(2-(4-bromophenyl)ethynyl)triisopropylsilane
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS271242-20-7
- Purity/Analytical Methods: >99.0%
271242-20-7 / 2-(4-bromophenyl)ethynyl-tri(propan-2-yl)silane
Basic Information
CAS
271242-20-7
Multi CAS
No
Molecular Formula
C17H25BrSi
Molecular Weight
337.400000
Exact Mass
336.090890
InChI
InChI=1S/C17H25BrSi/c1-13(2)19(14(3)4,15(5)6)12-11-16-7-9-17(18)10-8-16/h7-10,13-15H,1-6H3
InChIKey
PTRSRXSVQYRPGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
Molar refractivity
92.07
TPSA
0.0000
LogP / Solubility
WLOGP
6.02
MLOGP
5.31
XLogP3
6.02
Consensus LogP
5.78
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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