Ethyl (1R,2S)-1-amino-2-vinylcyclopropane-1-carboxylate hydrochloride

Name: Ethyl (1R,2S)-1-amino-2-vinylcyclopropane-1-carboxylate hydrochloride
SKU: PI259214567
Rating: 5 (1 reviews)

Catalog NumberPI259214567

CAS Number259214-56-7

CategoryAntivirals Intermediates

Ethyl (1R,2S)-1-amino-2-vinylcyclopropane-1-carboxylate hydrochloride

Product Details

Purity	min. 97%
Molecular Formula	C8H14ClNO2
Molecular Weight	191.66
Molar Refractivity	48.98

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Other Identifiers

Pubchem ID	66670028
InChI Key	RSBFMCGEQFBZBE-CIRBGYJCSA-N
MDL Number	MFCD11042409

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.87
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.62
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.57 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	0.9
Log Po/w (SILICOS-IT)	0.93
Log Po/w (WLOGP)	1.25
Log Po/w (XLOGP3)	1.26
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.79
Topological Polar Surface Area	52.32 Å²
Veber	0.0

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