Boc-D-Ser-OMe

Introduction

CAS No. :	95715-85-8	MDL No. :	MFCD00270516
Formula :	C9H17NO5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SANNKFASHWONFD-ZCFIWIBFSA-N
M.W :	219.24	Pubchem ID :	377723
Synonyms :	(R)-Methyl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate;tert-Butyl [(R)-1-(methoxycarbonyl)-2-hydroxyethyl]carbamate

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.78
Num. rotatable bonds :	7
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	52.34
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) :	-7.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.36
Log Po/w (XLOGP3) :	0.2
Log Po/w (WLOGP) :	0.04
Log Po/w (MLOGP) :	0.01
Log Po/w (SILICOS-IT) :	-0.14
Consensus Log Po/w :	0.5

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.86
Solubility :	30.0 mg/ml ; 0.137 mol/l
Class :	Very soluble
Log S (Ali) :	-1.54
Solubility :	6.31 mg/ml ; 0.0288 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.79
Solubility :	35.2 mg/ml ; 0.161 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.92

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:

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