Ethyl 3-(dimethylamino)acrylate

Name: Ethyl 3-(dimethylamino)acrylate
SKU: PI924992
Rating: 5 (1 reviews)

Cat. No.: PI924992

Product Details Other Identifiers Computed Properties

CAS	924-99-2
Purity	97%
Molecular Formula	C7H13NO2
Molecular Weight	143.18
Molar Refractivity	39.47

Pubchem ID	5369162
InChI Key	MVUMJYQUKKUOHO-AATRIKPKSA-N
MDL Number	MFCD00144269

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	4
Topological Polar Surface Area	29.54 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.57
Log Po/w (iLOGP)	1.9
Log Po/w (XLOGP3)	0.85
Log Po/w (WLOGP)	0.62
Log Po/w (MLOGP)	0.64
Log Po/w (SILICOS-IT)	0.19
Consensus Log Po/w	0.84
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.57 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.23

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