O-Desethyl Dapagliflozin

Name: O-Desethyl Dapagliflozin
SKU: PI864070371
Rating: 5 (1 reviews)

Cat. No.: PI864070371

Product Details Other Identifiers Computed Properties

CAS	864070-37-1
Synonyms	(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Purity	95%
Molecular Formula	C19H21ClO6
Molecular Weight	380.81
Molar Refractivity	95.55

Pubchem ID	44580555
InChI Key	ODQAIMBPQWETBE-FQBWVUSXSA-N
MDL Number	MFCD28387374

Hydrogen Bond Donor Count	5.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	4
Topological Polar Surface Area	110.38 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.37
Log Po/w (iLOGP)	2.01
Log Po/w (XLOGP3)	1.65
Log Po/w (WLOGP)	0.83
Log Po/w (MLOGP)	0.63
Log Po/w (SILICOS-IT)	1.84
Consensus Log Po/w	1.39
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.45 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	4.33

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