2-Methoxyacetohydrazide

Introduction

CAS No. :	20605-41-8	MDL No. :	MFCD02197887
Formula :	C3H8N2O2	Boiling Point :	-
Linear Structure Formula :	CH3OCH2CONHNH2	InChI Key :	XEPXDMNZXBUSOI-UHFFFAOYSA-N
M.W :	104.11	Pubchem ID :	2759532
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	23.33
TPSA :	64.35 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) :	-7.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.47
Log Po/w (XLOGP3) :	-1.32
Log Po/w (WLOGP) :	-1.38
Log Po/w (MLOGP) :	-1.29
Log Po/w (SILICOS-IT) :	-1.3
Consensus Log Po/w :	-0.97

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.54
Solubility :	364.0 mg/ml ; 3.5 mol/l
Class :	Highly soluble
Log S (Ali) :	0.47
Solubility :	305.0 mg/ml ; 2.93 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.02
Solubility :	109.0 mg/ml ; 1.04 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.4

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P210-P240-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P370+P378-P403+P233-P501	UN#:	1325
Hazard Statements:	H228-H302-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine