Tetracosanoic acid

Introduction

CAS No. :	557-59-5	MDL No. :	MFCD00002810
Formula :	C24H48O2	Boiling Point :	-
Linear Structure Formula :	CH3(CH2)22CO2H	InChI Key :	QZZGJDVWLFXDLK-UHFFFAOYSA-N
M.W :	368.64	Pubchem ID :	11197
Synonyms :	Tetracosanoic acid;C24:0 Fatty acid	Chemical Name :	Tetracosanoic acid

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.96
Num. rotatable bonds :	22
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	119.25
TPSA :	37.3 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-0.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.62
Log Po/w (XLOGP3) :	11.46
Log Po/w (WLOGP) :	8.67
Log Po/w (MLOGP) :	6.0
Log Po/w (SILICOS-IT) :	8.77
Consensus Log Po/w :	8.1

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-7.89
Solubility :	0.00000471 mg/ml ; 0.0000000128 mol/l
Class :	Poorly soluble
Log S (Ali) :	-12.23
Solubility :	0.0000000002 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-8.49
Solubility :	0.00000118 mg/ml ; 0.0000000032 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.24

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:	N/A
Hazard Statements:	H315-H319	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