2-(Dicyclohexylphosphino)biphenyl

Introduction

CAS No. :	247940-06-3	MDL No. :	MFCD01862441
Formula :	C24H31P	Boiling Point :	-
Linear Structure Formula :	(C6H11)2P(C6H4C6H5)	InChI Key :	LCSNDSFWVKMJCT-UHFFFAOYSA-N
M.W :	350.48	Pubchem ID :	2734216
Synonyms :	2-(Dicyclohexylphosphino)biphenyl	Chemical Name :	2-(Dicyclohexylphosphino)biphenyl

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.5
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	114.0
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.28
Log Po/w (XLOGP3) :	6.74
Log Po/w (WLOGP) :	7.13
Log Po/w (MLOGP) :	6.33
Log Po/w (SILICOS-IT) :	7.23
Consensus Log Po/w :	6.34

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.35
Solubility :	0.000156 mg/ml ; 0.000000446 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.83
Solubility :	0.0000518 mg/ml ; 0.000000148 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.86
Solubility :	0.00000487 mg/ml ; 0.0000000139 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.31

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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