122194-07-4 Dimethyl n,n-diisopropylphosphoramidite

Introduction

CAS No. :	122194-07-4	MDL No. :	MFCD00153505
Formula :	C8H20NO2P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KXUMNSXPAYCKPR-UHFFFAOYSA-N
M.W :	193.22	Pubchem ID :	5171659
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.61
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 :	No
Log Kp (skin permeation) :	-6.16 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.9
Log Po/w (XLOGP3) :	1.86
Log Po/w (WLOGP) :	2.62
Log Po/w (MLOGP) :	1.22
Log Po/w (SILICOS-IT) :	1.03
Consensus Log Po/w :	1.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.88
Solubility :	2.55 mg/ml ; 0.0132 mol/l
Class :	Very soluble
Log S (Ali) :	-2.22
Solubility :	1.16 mg/ml ; 0.00599 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.23
Solubility :	11.3 mg/ml ; 0.0586 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.42

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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