Methyl 4-formylbenzoate

Name: Methyl 4-formylbenzoate
SKU: PI1571080
Rating: 5 (1 reviews)

Catalog NumberPI1571080

CAS Number1571-08-0

CategoryAntineoplastics Intermediates

Product Details

Purity	98%
Molecular Formula	C9H8O3
Molecular Weight	164.16
Molar Refractivity	43.11

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Other Identifiers

Pubchem ID	15294
InChI Key	FEIOASZZURHTHB-UHFFFAOYSA-N
MDL Number	MFCD00006950

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.52
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.11
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.24 cm/s
Log Po/w (iLOGP)	1.71
Log Po/w (MLOGP)	1.28
Log Po/w (SILICOS-IT)	1.85
Log Po/w (WLOGP)	1.29
Log Po/w (XLOGP3)	1.49
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.04
Topological Polar Surface Area	43.37 Å²
Veber	0.0

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