Carbohydrazide

Introduction

CAS No. :	497-18-7	MDL No. :	MFCD00007591
Formula :	CH6N4O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XEVRDFDBXJMZFG-UHFFFAOYSA-N
M.W :	90.08	Pubchem ID :	73948
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	4.0
Molar Refractivity :	18.53
TPSA :	93.17 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) :	-7.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.08
Log Po/w (XLOGP3) :	-1.57
Log Po/w (WLOGP) :	-1.97
Log Po/w (MLOGP) :	-1.66
Log Po/w (SILICOS-IT) :	-1.37
Consensus Log Po/w :	-1.33

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.72
Solubility :	476.0 mg/ml ; 5.28 mol/l
Class :	Highly soluble
Log S (Ali) :	0.12
Solubility :	119.0 mg/ml ; 1.32 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.88
Solubility :	688.0 mg/ml ; 7.64 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.63

Signal Word:	Danger	Class:	9
Precautionary Statements:	P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330	UN#:	3077
Hazard Statements:	H302-H319-H372-H410	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