Guanidine carbonate

Introduction

CAS No. :	593-85-1	MDL No. :	MFCD00013029
Formula :	C3H12N6O3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	STIAPHVBRDNOAJ-UHFFFAOYSA-N
M.W :	180.17	Pubchem ID :	11650
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	8.0
Molar Refractivity :	42.51
TPSA :	209.31 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-9.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-1.05
Log Po/w (XLOGP3) :	-2.82
Log Po/w (WLOGP) :	-2.1
Log Po/w (MLOGP) :	-3.07
Log Po/w (SILICOS-IT) :	-0.79
Consensus Log Po/w :	-1.97

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	5.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.82
Solubility :	1190.0 mg/ml ; 6.6 mol/l
Class :	Highly soluble
Log S (Ali) :	-1.02
Solubility :	17.2 mg/ml ; 0.0954 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.92
Solubility :	1510.0 mg/ml ; 8.36 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.11

Signal Word:	Danger	Class:
Precautionary Statements:	P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P310-P501	UN#:
Hazard Statements:	H302-H318-H402	Packing Group:
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