3,4-Dimethoxycinnamic acid

Name: 3,4-Dimethoxycinnamic acid
SKU: PI2316269
Rating: 5 (1 reviews)

Catalog NumberPI2316269

CAS Number2316-26-9

CategoryAntiparkinson Agents Intermediates

Product Details

Purity	98%
Molecular Formula	C11H12O4
Molecular Weight	208.21
Molar Refractivity	56.1

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Other Identifiers

Pubchem ID	717531
InChI Key	HJBWJAPEBGSQPR-GQCTYLIASA-N
MDL Number	MFCD00004387

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	1.0 alert
Consensus Log Po/w	1.83
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.18
Ghose	None
GI Absorption	High
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.91 cm/s
Log Po/w (iLOGP)	2.01
Log Po/w (MLOGP)	1.3
Log Po/w (SILICOS-IT)	1.79
Log Po/w (WLOGP)	1.69
Log Po/w (XLOGP3)	2.34
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.04
Topological Polar Surface Area	55.76 Å²
Veber	0.0

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