Methyl benzofuran-4-carboxylate

Name: Methyl benzofuran-4-carboxylate
SKU: PI41019561
Rating: 5 (1 reviews)

Cat. No.: PI41019561

Product Details Other Identifiers Computed Properties

CAS	41019-56-1
Purity	97%
Molecular Formula	C10H8O3
Molecular Weight	176.17
Molar Refractivity	47.49

Pubchem ID	22326486
InChI Key	QUPMFELCGIVSMG-UHFFFAOYSA-N
MDL Number	MFCD15144218

Aromatic Heavy Atoms Number	9
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.05
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.1
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.83 cm/s
Log Po/w (iLOGP)	2.26
Log Po/w (MLOGP)	1.38
Log Po/w (SILICOS-IT)	2.23
Log Po/w (WLOGP)	2.22
Log Po/w (XLOGP3)	2.18
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.33
Topological Polar Surface Area	39.44 Å²
Veber	0.0

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