CAS RN: 14579-03-4
Trichlorocyclopentylsilane
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: ICTT2576
- Purity/Analytical Methods: >95.0%(GC)
14579-03-4 / trichloro(cyclopentyl)silane
Basic Information
CAS
14579-03-4
Multi CAS
No
Molecular Formula
C5H9Cl3Si
Molecular Weight
203.560000
Exact Mass
201.953910
SMILES
C1CCC(C1)[Si](Cl)(Cl)Cl
InChI
InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2
InChIKey
FCMZRNUHEXJWGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
45.53
TPSA
0.0000
LogP / Solubility
WLOGP
3.59
MLOGP
3.16
XLogP3
3.59
Consensus LogP
3.45
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
