Fmoc-L-Ser(β-D-GlcNAc(Ac)3)-OH

Introduction

CAS No. :	160067-63-0	MDL No. :	MFCD02094188
Formula :	C32H36N2O13	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	656.63	Pubchem ID :	-
Synonyms :		Chemical Name :	Fmoc-L-Ser(β-D-GlcNAc(Ac)3)-OH

Physicochemical Properties

Num. heavy atoms :	47
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.44
Num. rotatable bonds :	18
Num. H-bond acceptors :	13.0
Num. H-bond donors :	3.0
Molar Refractivity :	159.38
TPSA :	202.09 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-9.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.82
Log Po/w (XLOGP3) :	1.58
Log Po/w (WLOGP) :	1.65
Log Po/w (MLOGP) :	0.48
Log Po/w (SILICOS-IT) :	1.74
Consensus Log Po/w :	1.85

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	4.0
Bioavailability Score :	0.11

Water Solubility

Log S (ESOL) :	-3.91
Solubility :	0.0813 mg/ml ; 0.000124 mol/l
Class :	Soluble
Log S (Ali) :	-5.43
Solubility :	0.00241 mg/ml ; 0.00000368 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.29
Solubility :	0.00339 mg/ml ; 0.00000516 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	6.38

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:

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