(E)-Methyl 3-(4-formylphenyl)acrylate

Name: (E)-Methyl 3-(4-formylphenyl)acrylate
SKU: PI58045413
Rating: 5 (1 reviews)

Cat. No.: PI58045413

Product Details Other Identifiers Computed Properties

CAS	58045-41-3
Purity	98%
Molecular Formula	C11H10O3
Molecular Weight	190.20
Molar Refractivity	52.82

Pubchem ID	11008713
InChI Key	KVXMLLMZXPRPNG-VOTSOKGWSA-N
MDL Number	MFCD00157179

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	43.37 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.09
Log Po/w (iLOGP)	2.04
Log Po/w (XLOGP3)	2.08
Log Po/w (WLOGP)	1.58
Log Po/w (MLOGP)	1.53
Log Po/w (SILICOS-IT)	2.41
Consensus Log Po/w	1.93
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.98 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	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.99

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