144692-85-3 2,3-Dichlorofuro[3,4-b]pyrazine-5,7-dione

Introduction

CAS No. :	144692-85-3	MDL No. :	MFCD29056530
Formula :	C6Cl2N2O3	Boiling Point :	No data available
Linear Structure Formula :	Cl2C2N2C2(CO)2O	InChI Key :	LHZDZLPHWGVCCB-UHFFFAOYSA-N
M.W :	218.98	Pubchem ID :	71345867
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.8
TPSA :	69.15 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) :	-6.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.43
Log Po/w (XLOGP3) :	1.74
Log Po/w (WLOGP) :	1.09
Log Po/w (MLOGP) :	0.51
Log Po/w (SILICOS-IT) :	2.2
Consensus Log Po/w :	1.19

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.64
Solubility :	0.507 mg/ml ; 0.00232 mol/l
Class :	Soluble
Log S (Ali) :	-2.81
Solubility :	0.34 mg/ml ; 0.00155 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.96
Solubility :	0.24 mg/ml ; 0.00109 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.1

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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