(S)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalene

Introduction

CAS No. :	142128-92-5	MDL No. :	MFCD03788935
Formula :	C24H22O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YIAQRNNJNMLGTP-UHFFFAOYSA-N
M.W :	374.43	Pubchem ID :	10959708
Synonyms :

Physicochemical Properties

Num. heavy atoms :	28
Num. arom. heavy atoms :	20
Fraction Csp3 :	0.17
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	111.66
TPSA :	36.92 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.66
Log Po/w (XLOGP3) :	5.89
Log Po/w (WLOGP) :	5.63
Log Po/w (MLOGP) :	3.96
Log Po/w (SILICOS-IT) :	5.48
Consensus Log Po/w :	4.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.94
Solubility :	0.000431 mg/ml ; 0.00000115 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.44
Solubility :	0.000136 mg/ml ; 0.000000364 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.75
Solubility :	0.00000066 mg/ml ; 0.0000000018 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.13

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P273	UN#:	N/A
Hazard Statements:	H410	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