3-(Dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one

Name: 3-(Dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one
SKU: PI34772980
Rating: 5 (1 reviews)

Cat. No.: PI34772980

Product Details Other Identifiers Computed Properties

CAS	34772-98-0
Purity	95%
Molecular Formula	C9H11NOS
Molecular Weight	181.25
Molar Refractivity	51.36

Pubchem ID	712110
InChI Key	NXYSVZGMDFMOJJ-AATRIKPKSA-N
MDL Number	MFCD00172112

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.82
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.22
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.26 cm/s
Log Po/w (iLOGP)	2.34
Log Po/w (MLOGP)	0.73
Log Po/w (SILICOS-IT)	2.41
Log Po/w (WLOGP)	2.01
Log Po/w (XLOGP3)	1.61
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	2.71
Topological Polar Surface Area	48.55 Å²
Veber	0.0

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