Fmoc-Ser(TBDMS)-OH

Introduction

CAS No. :	146346-81-8	MDL No. :	MFCD02092931
Formula :	C24H31NO5Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IONOZYFSQPGBAT-NRFANRHFSA-N
M.W :	441.59	Pubchem ID :	51340600
Synonyms :

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.42
Num. rotatable bonds :	10
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	122.97
TPSA :	84.86 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.06
Log Po/w (XLOGP3) :	5.32
Log Po/w (WLOGP) :	5.0
Log Po/w (MLOGP) :	2.83
Log Po/w (SILICOS-IT) :	2.73
Consensus Log Po/w :	3.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.56
Solubility :	0.00123 mg/ml ; 0.00000278 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.85
Solubility :	0.0000618 mg/ml ; 0.00000014 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.64
Solubility :	0.000101 mg/ml ; 0.000000229 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	5.08

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:

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