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CAS 2733-26-8 (dl-a-tocopheroloxy)trimethylsilane,tech-90 molecular structure lightbox
CAS RN: 2733-26-8

(dl-a-tocopheroloxy)trimethylsilane,tech-90

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Batchno.20250815 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2733-26-8
  • Purity/Analytical Methods: >99.0%
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2733-26-8 / trimethyl-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]silane

Standard CAS: 2733-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2733-26-8
Multi CAS
No
Molecular Formula
C32H58O2Si
Molecular Weight
502.900000
Exact Mass
502.420608
InChI
InChI=1S/C32H58O2Si/c1-23(2)15-12-16-24(3)17-13-18-25(4)19-14-21-32(8)22-20-29-28(7)30(34-35(9,10)11)26(5)27(6)31(29)33-32/h23-25H,12-22H2,1-11H3
InChIKey
MJWXSUWKOCZGBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
156.7
TPSA
18.46

LogP / Solubility

WLOGP
10.35
MLOGP
9.14
XLogP3
10.35
Consensus LogP
9.95
Log S (ESOL)
-8.68
Class (ESOL)
Insoluble
Log S (Ali)
-11.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.2
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
Yes
Log Kp (skin permeation)
1.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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