4-Ethyl-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

Introduction

CAS No. :	84540-37-4	MDL No. :	MFCD09751090
Formula :	C23H30	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DOALOUQODWWGEZ-UHFFFAOYSA-N
M.W :	306.48	Pubchem ID :	606477
Synonyms :

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.48
Num. rotatable bonds :	5
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	102.96
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.33 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.44
Log Po/w (XLOGP3) :	8.22
Log Po/w (WLOGP) :	6.99
Log Po/w (MLOGP) :	7.03
Log Po/w (SILICOS-IT) :	6.95
Consensus Log Po/w :	6.73

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.97
Solubility :	0.0000325 mg/ml ; 0.000000106 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.08
Solubility :	0.00000254 mg/ml ; 0.0000000083 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.09
Solubility :	0.00000247 mg/ml ; 0.0000000081 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.21

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H302-H319-H413	Packing Group:
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