Triethyl phosphate

Introduction

CAS No. :	78-40-0	MDL No. :	MFCD00009077
Formula :	C6H15O4P	Boiling Point :	-
Linear Structure Formula :	(C2H5O)3P(O)	InChI Key :	DQWPFSLDHJDLRL-UHFFFAOYSA-N
M.W :	182.15	Pubchem ID :	6535
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	42.87
TPSA :	54.57 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.84 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.69
Log Po/w (XLOGP3) :	0.8
Log Po/w (WLOGP) :	2.2
Log Po/w (MLOGP) :	0.35
Log Po/w (SILICOS-IT) :	0.78
Consensus Log Po/w :	1.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.08
Solubility :	15.2 mg/ml ; 0.0837 mol/l
Class :	Very soluble
Log S (Ali) :	-1.53
Solubility :	5.41 mg/ml ; 0.0297 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.5
Solubility :	5.83 mg/ml ; 0.032 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.84

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P301+P330+P331-P312-P302+P352-P337+P313-P201-P280	UN#:	N/A
Hazard Statements:	H302-H315-H319-H340-H351	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