Z-Tyr-OMe

Introduction

CAS No. :	13512-31-7	MDL No. :	MFCD00038784
Formula :	C18H19NO5	Boiling Point :	-
Linear Structure Formula :	HOC6H4CH2CH(CO2CH3)NHC(O)OCH2C6H5	InChI Key :	SLLMDHBKALJDBW-INIZCTEOSA-N
M.W :	329.35	Pubchem ID :	7010613
Synonyms :

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.22
Num. rotatable bonds :	9
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	87.71
TPSA :	84.86 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.47
Log Po/w (XLOGP3) :	2.23
Log Po/w (WLOGP) :	2.25
Log Po/w (MLOGP) :	2.17
Log Po/w (SILICOS-IT) :	2.46
Consensus Log Po/w :	2.31

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.06
Solubility :	0.285 mg/ml ; 0.000865 mol/l
Class :	Soluble
Log S (Ali) :	-3.65
Solubility :	0.0742 mg/ml ; 0.000225 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.99
Solubility :	0.00339 mg/ml ; 0.0000103 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.07

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-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