Dicyclohexyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine

Introduction

CAS No. :	251320-86-2	MDL No. :	MFCD03094577
Formula :	C25H33P	Boiling Point :	-
Linear Structure Formula :	(C6H11)2P(C6H4C6H4CH3)	InChI Key :	GPVWUKXZFDHGMZ-UHFFFAOYSA-N
M.W :	364.50	Pubchem ID :	2734938
Synonyms :		Chemical Name :	Dicyclohexyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.52
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	118.97
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) :	-3.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.4
Log Po/w (XLOGP3) :	7.1
Log Po/w (WLOGP) :	7.43
Log Po/w (MLOGP) :	6.54
Log Po/w (SILICOS-IT) :	7.74
Consensus Log Po/w :	6.64

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.65
Solubility :	0.0000815 mg/ml ; 0.000000224 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.2
Solubility :	0.0000228 mg/ml ; 0.0000000625 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.23
Solubility :	0.00000213 mg/ml ; 0.0000000058 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.43

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H312-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine