(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Introduction

CAS No. :	24034-73-9	MDL No. :
Formula :	C20H34O	Boiling Point :	-
Linear Structure Formula :	(CH3)2C2HCH2CH2(C2H3CHCH2CH2)2C2H3CHCH2OH	InChI Key :	OJISWRZIEWCUBN-QIRCYJPOSA-N
M.W :	290.48	Pubchem ID :	5281365
Synonyms :	Geranylgeranyl Alcohol;GG Alcohol;FT-0626663;CJ-24095;Tetraprenol	Chemical Name :	(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	10
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	97.52
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.57
Log Po/w (XLOGP3) :	7.27
Log Po/w (WLOGP) :	6.12
Log Po/w (MLOGP) :	4.95
Log Po/w (SILICOS-IT) :	6.08
Consensus Log Po/w :	5.8

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.56
Solubility :	0.000798 mg/ml ; 0.00000275 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.52
Solubility :	0.00000877 mg/ml ; 0.0000000302 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-4.43
Solubility :	0.0108 mg/ml ; 0.0000373 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.65

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

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