Ethyl 3-ethoxy-3-iminopropionate hydrochloride

Name: Ethyl 3-ethoxy-3-iminopropionate hydrochloride
SKU: PI2318254
Rating: 5 (1 reviews)

Catalog NumberPI2318254

CAS Number2318-25-4

CategoryAntineoplastics Intermediates

Ethyl 3-ethoxy-3-iminopropionate hydrochloride

Product Details

Purity	90%
Molecular Formula	C7H14ClNO3
Molecular Weight	195.64
Molar Refractivity	48.69

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Other Identifiers

Pubchem ID	75345
InChI Key	HYMXUYQKXCHWDC-UHFFFAOYSA-N
MDL Number	MFCD00051405

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.09
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.71
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.18 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	0.93
Log Po/w (SILICOS-IT)	0.9
Log Po/w (WLOGP)	1.76
Log Po/w (XLOGP3)	1.85
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	2.58
Topological Polar Surface Area	59.38 Å²
Veber	0.0

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