2,3-Diaminobenzamide

Introduction

CAS No. :	711007-44-2	MDL No. :	MFCD09029906
Formula :	C7H9N3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NAWJZCSEYBQUGY-UHFFFAOYSA-N
M.W :	151.17	Pubchem ID :	10487029
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	3.0
Molar Refractivity :	43.35
TPSA :	95.13 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) :	-7.46 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.7
Log Po/w (XLOGP3) :	-0.33
Log Po/w (WLOGP) :	-0.03
Log Po/w (MLOGP) :	0.0
Log Po/w (SILICOS-IT) :	-0.46
Consensus Log Po/w :	-0.02

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.91
Solubility :	18.7 mg/ml ; 0.124 mol/l
Class :	Very soluble
Log S (Ali) :	-1.21
Solubility :	9.4 mg/ml ; 0.0622 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.25
Solubility :	8.48 mg/ml ; 0.0561 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P273-P280-P301+P310	UN#:	2811
Hazard Statements:	H301-H312+H332-H317-H319-H341-H351-H371-H411	Packing Group:	Ⅲ
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