Ethyl 2-(triphenylphosphoranylidene)propanoate

Name: Ethyl 2-(triphenylphosphoranylidene)propanoate
SKU: PI5717373
Rating: 5 (1 reviews)

Catalog NumberPI5717373

CAS Number5717-37-3

CategoryAntivirals Intermediates

Ethyl 2-(triphenylphosphoranylidene)propanoate

Product Details

Purity	97% HPLC
Molecular Formula	C23H23O2P
Molecular Weight	362.40
Molar Refractivity	112.78

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Other Identifiers

Pubchem ID	79792
InChI Key	KZENFXVDPUMQOE-UHFFFAOYSA-N
MDL Number	MFCD00009160

Computed Properties

Aromatic Heavy Atoms Number	18
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	3.77
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.13
Ghose	None
GI Absorption	High
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-5.44 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	4.95
Log Po/w (SILICOS-IT)	5.81
Log Po/w (WLOGP)	3.74
Log Po/w (XLOGP3)	4.33
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	4.14
Topological Polar Surface Area	36.11 Å²
Veber	0.0

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