Azetidin-3-ylmethanol hydrochloride

Introduction

CAS No. :	928038-44-2	MDL No. :	MFCD09743446
Formula :	C4H10ClNO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AQUVQGSNKVDBBF-UHFFFAOYSA-N
M.W :	123.58	Pubchem ID :	24801400
Synonyms :		Chemical Name :	Azetidin-3-ylmethanol hydrochloride

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	34.07
TPSA :	32.26 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) :	-7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.06
Log Po/w (WLOGP) :	-0.38
Log Po/w (MLOGP) :	-0.16
Log Po/w (SILICOS-IT) :	0.45
Consensus Log Po/w :	-0.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.5
Solubility :	38.9 mg/ml ; 0.314 mol/l
Class :	Very soluble
Log S (Ali) :	-0.17
Solubility :	84.2 mg/ml ; 0.682 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.26
Solubility :	68.4 mg/ml ; 0.553 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:	N/A
Precautionary Statements:	P302+P352-P337+P313-P304+P340-P312-P280-P332+P313	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
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