2-(Diphenylphosphino)biphenyl

Introduction

CAS No. :	13885-09-1	MDL No. :	MFCD11559063
Formula :	C24H19P	Boiling Point :	No data available
Linear Structure Formula :	P(C6H5)2C12H9	InChI Key :	FNCQSSIMHQVKGF-UHFFFAOYSA-N
M.W :	338.38	Pubchem ID :	12976978
Synonyms :

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	110.58
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.67
Log Po/w (XLOGP3) :	6.23
Log Po/w (WLOGP) :	5.11
Log Po/w (MLOGP) :	6.27
Log Po/w (SILICOS-IT) :	7.03
Consensus Log Po/w :	5.66

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.31
Solubility :	0.000166 mg/ml ; 0.000000491 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.3
Solubility :	0.000169 mg/ml ; 0.0000005 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.03
Solubility :	0.0000000319 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.28

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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