3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol

Introduction

CAS No. :	6790-09-6	MDL No. :	MFCD06201001
Formula :	C24H50O13	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WRZXKWFJEFFURH-UHFFFAOYSA-N
M.W :	546.65	Pubchem ID :	81248
Synonyms :	HO-PEG12-OH	Chemical Name :	3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol

Physicochemical Properties

Num. heavy atoms :	37
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	34
Num. H-bond acceptors :	13.0
Num. H-bond donors :	2.0
Molar Refractivity :	131.74
TPSA :	141.99 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-11.6 cm/s

Lipophilicity

Log Po/w (iLOGP) :	6.51
Log Po/w (XLOGP3) :	-2.77
Log Po/w (WLOGP) :	-0.85
Log Po/w (MLOGP) :	-3.44
Log Po/w (SILICOS-IT) :	4.0
Consensus Log Po/w :	0.69

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	0.76
Solubility :	3140.0 mg/ml ; 5.75 mol/l
Class :	Highly soluble
Log S (Ali) :	0.34
Solubility :	1200.0 mg/ml ; 2.2 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-5.36
Solubility :	0.0024 mg/ml ; 0.0000044 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.62

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	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