CAS RN: 144-79-6
Diphenylmethylchlorosilane
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTD1390
- Purity/Analytical Methods: >95.0%(GC)
144-79-6 / chloro-methyl-diphenylsilane
Basic Information
CAS
144-79-6
Multi CAS
No
Molecular Formula
C13H13ClSi
Molecular Weight
232.780000
Exact Mass
232.047505
SMILES
C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C13H13ClSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
OJZNZOXALZKPEA-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
Molar refractivity
69.62
TPSA
0.0000
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.61
Consensus LogP
2.51
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
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
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