CAS RN: 18028-96-1
DICHLOROISOBUTYLMETHYLSILANE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS18028-96-1
- Purity/Analytical Methods: >99.0%
18028-96-1 / dichloro-methyl-(2-methylpropyl)silane
Basic Information
CAS
18028-96-1
Multi CAS
No
Molecular Formula
C5H12Cl2Si
Molecular Weight
171.140000
Exact Mass
170.008532
SMILES
CC(C)C[Si](C)(Cl)Cl
InChI
InChI=1S/C5H12Cl2Si/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3
InChIKey
LYAOQSKLBKFKFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
42.97
TPSA
0.0000
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.19
Consensus LogP
3.06
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-1.5
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)
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
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