775-12-2 Diphenylsilane

Introduction

CAS No. :	775-12-2	MDL No. :	MFCD00003002
Formula :	C12H12Si	Boiling Point :	-
Linear Structure Formula :	SiH2(C6H5)2	InChI Key :	BPYFPNZHLXDIGA-UHFFFAOYSA-N
M.W :	184.31	Pubchem ID :	6327659
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	60.7
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.54
Log Po/w (XLOGP3) :	3.55
Log Po/w (WLOGP) :	0.81
Log Po/w (MLOGP) :	3.88
Log Po/w (SILICOS-IT) :	2.28
Consensus Log Po/w :	2.61

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.77
Solubility :	0.0313 mg/ml ; 0.00017 mol/l
Class :	Soluble
Log S (Ali) :	-3.24
Solubility :	0.107 mg/ml ; 0.000582 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.02
Solubility :	0.00177 mg/ml ; 0.00000959 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.55

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H315	Packing Group:	N/A
GHS Pictogram:

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