N-([1,1'-Biphenyl]-2-yl)-9,9-dimethyl-9H-fluoren-2-amine

Introduction

CAS No. :	1198395-24-2	MDL No. :	MFCD19440968
Formula :	C27H23N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OBARUOOPPWHZRQ-UHFFFAOYSA-N
M.W :	361.48	Pubchem ID :	66803057
Synonyms :

Physicochemical Properties

Num. heavy atoms :	28
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.11
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	119.37
TPSA :	12.03 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.07
Log Po/w (XLOGP3) :	7.59
Log Po/w (WLOGP) :	7.4
Log Po/w (MLOGP) :	5.96
Log Po/w (SILICOS-IT) :	6.87
Consensus Log Po/w :	6.38

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.3
Solubility :	0.0000182 mg/ml ; 0.0000000502 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.68
Solubility :	0.00000755 mg/ml ; 0.0000000209 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.99
Solubility :	0.0000000037 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.27

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

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