Fmoc-Ser(HPO3Bzl)-OH

Introduction

CAS No. :	158171-14-3	MDL No. :	MFCD00797869
Formula :	C25H24NO8P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZBPUWGDUVAAWJY-QHCPKHFHSA-N
M.W :	497.43	Pubchem ID :	11005563
Synonyms :

Physicochemical Properties

Num. heavy atoms :	35
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.2
Num. rotatable bonds :	12
Num. H-bond acceptors :	8.0
Num. H-bond donors :	3.0
Molar Refractivity :	126.46
TPSA :	141.2 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) :	-7.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.15
Log Po/w (XLOGP3) :	2.94
Log Po/w (WLOGP) :	4.16
Log Po/w (MLOGP) :	2.01
Log Po/w (SILICOS-IT) :	2.79
Consensus Log Po/w :	3.41

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.36
Solubility :	0.0215 mg/ml ; 0.0000432 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.57
Solubility :	0.00135 mg/ml ; 0.00000271 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.6
Solubility :	0.000125 mg/ml ; 0.000000252 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.83

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