Triethylamine Phosphate

Introduction

CAS No. :	35365-94-7	MDL No. :	MFCD00067475
Formula :	C6H18NO4P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UNXNGGMLCSMSLH-UHFFFAOYSA-N
M.W :	199.19	Pubchem ID :	61946
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	48.11
TPSA :	90.81 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) :	-9.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.07
Log Po/w (XLOGP3) :	-2.92
Log Po/w (WLOGP) :	0.42
Log Po/w (MLOGP) :	-0.48
Log Po/w (SILICOS-IT) :	0.66
Consensus Log Po/w :	-0.25

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.96
Solubility :	1830.0 mg/ml ; 9.18 mol/l
Class :	Highly soluble
Log S (Ali) :	1.57
Solubility :	7430.0 mg/ml ; 37.3 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-1.51
Solubility :	6.08 mg/ml ; 0.0305 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.5

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:

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