Triethyl Phosphonoacetate

Name: Triethyl Phosphonoacetate
SKU: PI867130
Rating: 5 (1 reviews)

Catalog NumberPI867130

CAS Number867-13-0

CategoryAntipsychotics Intermediates

Product Details

Synonyms	Ethyl 2-(diethoxyphosphoryl)acetate
Purity	98%
Molecular Formula	C8H17O5P
Molecular Weight	224.19
Molar Refractivity	52.69

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Other Identifiers

Pubchem ID	13345
InChI Key	GGUBFICZYGKNTD-UHFFFAOYSA-N
MDL Number	MFCD00009177

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.04
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.88
Ghose	None
GI Absorption	High
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.32 cm/s
Log Po/w (iLOGP)	1.85
Log Po/w (MLOGP)	0.51
Log Po/w (SILICOS-IT)	0.52
Log Po/w (WLOGP)	1.82
Log Po/w (XLOGP3)	0.49
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	3.69
Topological Polar Surface Area	71.64 Å²
Veber	0.0

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