1,3-Diaminopropan-2-ol

Introduction

CAS No. :	616-29-5	MDL No. :	MFCD00008142
Formula :	C3H10N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	UYBWIEGTWASWSR-UHFFFAOYSA-N
M.W :	90.12	Pubchem ID :	61157
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	3.0
Molar Refractivity :	23.11
TPSA :	72.27 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) :	-8.46 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.66
Log Po/w (XLOGP3) :	-2.27
Log Po/w (WLOGP) :	-1.74
Log Po/w (MLOGP) :	-1.51
Log Po/w (SILICOS-IT) :	-1.43
Consensus Log Po/w :	-1.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.16
Solubility :	1310.0 mg/ml ; 14.6 mol/l
Class :	Highly soluble
Log S (Ali) :	1.29
Solubility :	1740.0 mg/ml ; 19.4 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.65
Solubility :	404.0 mg/ml ; 4.49 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	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