Tetradecyl acetate

Introduction

CAS No. :	638-59-5	MDL No. :	MFCD00053737
Formula :	C16H32O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IOUUIFSIQMVYKP-UHFFFAOYSA-N
M.W :	256.42	Pubchem ID :	12531
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.94
Num. rotatable bonds :	14
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	80.31
TPSA :	26.3 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.18
Log Po/w (XLOGP3) :	6.66
Log Po/w (WLOGP) :	5.25
Log Po/w (MLOGP) :	4.19
Log Po/w (SILICOS-IT) :	5.4
Consensus Log Po/w :	5.14

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.7
Solubility :	0.0051 mg/ml ; 0.0000199 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.01
Solubility :	0.0000248 mg/ml ; 0.0000000967 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-5.61
Solubility :	0.000629 mg/ml ; 0.00000245 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.46

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-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