N-Methoxy-N-methylformamide

Introduction

CAS No. :	32117-82-1	MDL No. :	MFCD11226240
Formula :	C3H7NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WHWRXFLOPJUZDK-UHFFFAOYSA-N
M.W :	89.09	Pubchem ID :	11789129
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	21.1
TPSA :	29.54 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) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.13
Log Po/w (XLOGP3) :	-0.22
Log Po/w (WLOGP) :	-0.36
Log Po/w (MLOGP) :	-0.04
Log Po/w (SILICOS-IT) :	-0.94
Consensus Log Po/w :	-0.09

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.12
Solubility :	67.3 mg/ml ; 0.755 mol/l
Class :	Very soluble
Log S (Ali) :	0.06
Solubility :	102.0 mg/ml ; 1.14 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.42
Solubility :	234.0 mg/ml ; 2.63 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.76

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210	UN#:	1993
Hazard Statements:	H225	Packing Group:	Ⅲ
GHS Pictogram:

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