Dioctyltin oxide

Introduction

CAS No. :	870-08-6	MDL No. :	MFCD00013839
Formula :	C16H34OSn	Boiling Point :	-
Linear Structure Formula :	(CH3(CH2)6CH2)2SnO	InChI Key :	LQRUPWUPINJLMU-UHFFFAOYSA-N
M.W :	361.15	Pubchem ID :	93563
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	14
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	85.47
TPSA :	17.07 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.46
Log Po/w (WLOGP) :	6.13
Log Po/w (MLOGP) :	4.31
Log Po/w (SILICOS-IT) :	5.27
Consensus Log Po/w :	4.63

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.85
Solubility :	0.000504 mg/ml ; 0.0000014 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.65
Solubility :	0.00000807 mg/ml ; 0.0000000223 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.59
Solubility :	0.0000926 mg/ml ; 0.000000256 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.91

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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