9,9-Diphenyl-9H-fluoren-2-amine

Introduction

CAS No. :	1268519-74-9	MDL No. :	MFCD22376664
Formula :	C25H19N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MQRGCMXCVJPWHI-UHFFFAOYSA-N
M.W :	333.43	Pubchem ID :	70700696
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.04
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	108.15
TPSA :	26.02 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 :	Yes
Log Kp (skin permeation) :	-4.08 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.13
Log Po/w (XLOGP3) :	5.99
Log Po/w (WLOGP) :	5.64
Log Po/w (MLOGP) :	5.29
Log Po/w (SILICOS-IT) :	5.91
Consensus Log Po/w :	5.19

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.23
Solubility :	0.000195 mg/ml ; 0.000000586 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.31
Solubility :	0.000162 mg/ml ; 0.000000486 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.82
Solubility :	0.0000000503 mg/ml ; 0.0000000002 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.11

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319	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