CAS RN: 13617-40-8
Trichloro(3-phenylpropyl)silane
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTT2853
- Purity/Analytical Methods: >97.0%(GC)
13617-40-8 / trichloro(3-phenylpropyl)silane
Basic Information
CAS
13617-40-8
Multi CAS
No
Molecular Formula
C9H11Cl3Si
Molecular Weight
253.600000
Exact Mass
251.969560
SMILES
C1=CC=C(C=C1)CCC[Si](Cl)(Cl)Cl
InChI
InChI=1S/C9H11Cl3Si/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
QJOHXSVBLYVERP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
Molar refractivity
62.88
TPSA
0.0000
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
4.27
Consensus LogP
4.1
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
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![CAS 78900-02-4 Trichloro[3-(pentafluorophenyl)propyl]silane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3030-jpgcontextbwfzdgvyfhjvb3r8mzazmtn8aw1hz2uvanblz3xoyjgvagrklzg5mzi2nty1ndu4mjivvdmwmzauanbnfdm0nwiwntrjyzuzote1ngq1nmywm2jim2zhymi1nwrjm2i0mmuxmgvimdg4nzm4nzq1zwm5nmmwndu5mdhmnde.jpeg)