(R)-4-Methyl-1,3,2-dioxathiolane 2,2-dioxide

Introduction

CAS No. :	1006381-03-8	MDL No. :	MFCD26131319
Formula :	C3H6O4S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OQXNUCOGMMHHNA-GSVOUGTGSA-N
M.W :	138.14	Pubchem ID :	59377073
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	25.56
TPSA :	60.98 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) :	-7.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.17
Log Po/w (XLOGP3) :	-0.1
Log Po/w (WLOGP) :	0.75
Log Po/w (MLOGP) :	-0.98
Log Po/w (SILICOS-IT) :	0.13
Consensus Log Po/w :	0.19

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.63
Solubility :	32.1 mg/ml ; 0.233 mol/l
Class :	Very soluble
Log S (Ali) :	-0.73
Solubility :	25.8 mg/ml ; 0.187 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.04
Solubility :	150.0 mg/ml ; 1.08 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.21

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501	UN#:	2810
Hazard Statements:	H302-H340	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