Ertugliflozin L-pyroglutamic acid

Name: Ertugliflozin L-pyroglutamic acid
SKU: PI1210344834
Rating: 5 (1 reviews)

Catalog NumberPI1210344834

CAS Number1210344-83-4

CategoryBlood Glucose Regulators Intermediates

Product Details

Synonyms	(S)-5-Oxopyrrolidine-2-carboxylic acid compound with (1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (1:1)
Purity	99%
Molecular Formula	C27H32ClNO10
Molecular Weight	566.00
Molar Refractivity	141.25

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Other Identifiers

Pubchem ID	57339449
InChI Key	YHIUPZFKHZTLSH-LXYIGGQGSA-N
MDL Number	MFCD27956909

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.11
Brenk	0.0 alert
Consensus Log Po/w	1.6
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	1.0
Fraction Csp3	0.48
Ghose	None
GI Absorption	Low
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	10.0
Hydrogen Bond Donor Count	6.0
Leadlikeness	1.0
Lipinski	3.0
Log Kp (Skin Permeation)	-9.08 cm/s
Log Po/w (iLOGP)	3.7
Log Po/w (MLOGP)	0.15
Log Po/w (SILICOS-IT)	3.0
Log Po/w (WLOGP)	0.22
Log Po/w (XLOGP3)	0.95
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	7
Synthetic Accessibility	6.05
Topological Polar Surface Area	175.01 Å²
Veber	1.0

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