Dibenzyl diisopropylphosphoramidite

Introduction

CAS No. :	108549-23-1	MDL No. :	MFCD00191988
Formula :	C20H28NO2P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ANPWLBTUUNFQIO-UHFFFAOYSA-N
M.W :	345.42	Pubchem ID :	196621
Synonyms :		Chemical Name :	Dibenzyl diisopropylphosphoramidite

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.4
Num. rotatable bonds :	9
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	102.59
TPSA :	35.29 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.2
Log Po/w (XLOGP3) :	4.85
Log Po/w (WLOGP) :	5.46
Log Po/w (MLOGP) :	3.79
Log Po/w (SILICOS-IT) :	4.52
Consensus Log Po/w :	4.56

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.81
Solubility :	0.00531 mg/ml ; 0.0000154 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.33
Solubility :	0.00163 mg/ml ; 0.00000473 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.26
Solubility :	0.000189 mg/ml ; 0.000000548 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.04

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:

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