Bis(dimethylamido)phosphoric chloride

Introduction

CAS No. :	1605-65-8	MDL No. :	MFCD00008302
Formula :	C4H12ClN2OP	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WYLQARGYFXBZMD-UHFFFAOYSA-N
M.W :	170.58	Pubchem ID :	74150
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.59
TPSA :	33.36 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) :	-7.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	0.11
Log Po/w (WLOGP) :	1.46
Log Po/w (MLOGP) :	0.42
Log Po/w (SILICOS-IT) :	-1.1
Consensus Log Po/w :	0.59

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.83
Solubility :	24.9 mg/ml ; 0.146 mol/l
Class :	Very soluble
Log S (Ali) :	-0.37
Solubility :	73.5 mg/ml ; 0.431 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.73
Solubility :	31.8 mg/ml ; 0.186 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.34

Signal Word:	Danger	Class:	8
Precautionary Statements:	P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501	UN#:	3265
Hazard Statements:	H290-H314	Packing Group:	Ⅱ
GHS Pictogram:

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