4-Phenoxybenzoic acid

Name: 4-Phenoxybenzoic acid
SKU: PI2215772
Rating: 5 (1 reviews)

Catalog NumberPI2215772

CAS Number2215-77-2

CategoryAntineoplastics Intermediates

Product Details

Purity	98%
Molecular Formula	C13H10O3
Linear Formula	C6H5OC6H4COOH
Molecular Weight	214.22
Molar Refractivity	59.92

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Other Identifiers

Pubchem ID	75182
InChI Key	RYAQFHLUEMJOMF-UHFFFAOYSA-N
MDL Number	MFCD00002539

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	2.88
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-4.83 cm/s
Log Po/w (iLOGP)	2.08
Log Po/w (MLOGP)	2.81
Log Po/w (SILICOS-IT)	2.43
Log Po/w (WLOGP)	3.18
Log Po/w (XLOGP3)	3.91
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.46
Topological Polar Surface Area	46.53 Å²
Veber	0.0

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