Di-tert-butyl diisopropylphosphoramidite

Introduction

CAS No. :	137348-86-8	MDL No. :	MFCD00153506
Formula :	C14H32NO2P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YGFLCNPXEPDANQ-UHFFFAOYSA-N
M.W :	277.38	Pubchem ID :	853005
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	7
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	82.53
TPSA :	35.29 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 :	Yes
Log Kp (skin permeation) :	-5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.74
Log Po/w (XLOGP3) :	3.83
Log Po/w (WLOGP) :	4.96
Log Po/w (MLOGP) :	2.95
Log Po/w (SILICOS-IT) :	2.92
Consensus Log Po/w :	3.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.51
Solubility :	0.0856 mg/ml ; 0.000309 mol/l
Class :	Soluble
Log S (Ali) :	-4.27
Solubility :	0.015 mg/ml ; 0.0000541 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.87
Solubility :	0.372 mg/ml ; 0.00134 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.09

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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