(2',6'-Dimethoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine

Introduction

CAS No. :	819867-24-8	MDL No. :	MFCD22199795
Formula :	C26H23O2P	Boiling Point :	-
Linear Structure Formula :	P(C6H5)2C12H7(OCH3)2	InChI Key :	SCPQRAVWOIURIW-UHFFFAOYSA-N
M.W :	398.43	Pubchem ID :	71651621
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.08
Num. rotatable bonds :	6
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	123.57
TPSA :	32.05 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) :	-4.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.99
Log Po/w (XLOGP3) :	6.18
Log Po/w (WLOGP) :	5.13
Log Po/w (MLOGP) :	5.22
Log Po/w (SILICOS-IT) :	7.11
Consensus Log Po/w :	5.53

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.42
Solubility :	0.000151 mg/ml ; 0.00000038 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.64
Solubility :	0.0000919 mg/ml ; 0.000000231 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.24
Solubility :	0.0000000231 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.38

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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