CAS RN: 1807776-35-7
Tri(cyclohexa-2,5-dien-1-yl)silane
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: ICTT3443
- Purity/Analytical Methods: >93.0%(GC)
1807776-35-7 / Tri(cyclohexa-2,5-dien-1-yl)silane
Basic Information
CAS
1807776-35-7
Multi CAS
No
Molecular Formula
C18H21Si
Molecular Weight
265.400000
Exact Mass
265.141252
SMILES
C1C=CC(C=C1)[Si](C2C=CCC=C2)C3C=CCC=C3
InChI
InChI=1S/C18H21Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-18H,1-3H2
InChIKey
XJWMXBHHJZAKOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.33
Rotatable bonds
3
Molar refractivity
85.7
TPSA
0.0000
LogP / Solubility
WLOGP
5.14
MLOGP
4.53
XLogP3
5.14
Consensus LogP
4.94
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
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)
-0.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
-
Di-tert-Butylsilane
- CAS RN: 30736-07-3
- Product Code: ICTD3731
- Purity/Analytical method: >95.0%(GC)
-
-
-
-
