N-(Cyclopentyloxycarbonyloxy)succinimide

Introduction

CAS No. :	128595-07-3	MDL No. :	MFCD04038113
Formula :	C10H13NO5	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MKHDXOXWZKDUKB-UHFFFAOYSA-N
M.W :	227.21	Pubchem ID :	15927743
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.7
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.93
TPSA :	72.91 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.9
Log Po/w (XLOGP3) :	0.9
Log Po/w (WLOGP) :	0.77
Log Po/w (MLOGP) :	0.64
Log Po/w (SILICOS-IT) :	0.45
Consensus Log Po/w :	0.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.55
Solubility :	6.38 mg/ml ; 0.0281 mol/l
Class :	Very soluble
Log S (Ali) :	-2.02
Solubility :	2.19 mg/ml ; 0.00963 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.7
Solubility :	45.5 mg/ml ; 0.2 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.5

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

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