TP353

Name: TP353
SKU: PI1253799299
Rating: 5 (1 reviews)

Catalog NumberPI1253799299

CAS Number1253799-29-9

CategoryAntibacterials Intermediates

Product Details

Synonyms	Phenyl 2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate
Purity	97%
Molecular Formula	C35H30FNO3
Molecular Weight	531.62
Molar Refractivity	156.93

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Other Identifiers

Pubchem ID	71739305
InChI Key	VRXGVVAMXZXKNA-UHFFFAOYSA-N
MDL Number	MFCD28142365

Computed Properties

Aromatic Heavy Atoms Number	30
BBB Permeant	No
Bioavailability Score	0.17
Brenk	1.0 alert
Consensus Log Po/w	7.16
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.11
Ghose	None
GI Absorption	Low
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	3.0
Lipinski	2.0
Log Kp (Skin Permeation)	-3.6 cm/s
Log Po/w (iLOGP)	4.73
Log Po/w (MLOGP)	6.64
Log Po/w (SILICOS-IT)	7.97
Log Po/w (WLOGP)	8.1
Log Po/w (XLOGP3)	8.37
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	11
Synthetic Accessibility	3.88
Topological Polar Surface Area	38.77 Å²
Veber	1.0

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