(R)-3-Iodotetrahydrofuran

Introduction

CAS No. :	873063-62-8	MDL No. :	MFCD17015957
Formula :	C4H7IO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BKIQORJIKOPRCG-SCSAIBSYSA-N
M.W :	198.00	Pubchem ID :	51675149
Synonyms :		Chemical Name :	(R)-3-Iodotetrahydrofuran

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	33.28
TPSA :	9.23 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) :	-6.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.71
Log Po/w (XLOGP3) :	1.21
Log Po/w (WLOGP) :	1.21
Log Po/w (MLOGP) :	1.14
Log Po/w (SILICOS-IT) :	2.28
Consensus Log Po/w :	1.51

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.83
Solubility :	2.93 mg/ml ; 0.0148 mol/l
Class :	Very soluble
Log S (Ali) :	-1.0
Solubility :	19.8 mg/ml ; 0.0999 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.45
Solubility :	6.98 mg/ml ; 0.0352 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.7

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	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