Diethyl 3-hydroxyglutarate

Name: Diethyl 3-hydroxyglutarate
SKU: PI32328033
Rating: 5 (1 reviews)

Catalog NumberPI32328033

CAS Number32328-03-3

CategoryCardiovascular Agents Intermediates

Product Details

Purity	95%
Molecular Formula	C9H16O5
Molecular Weight	204.22
Molar Refractivity	49.11

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Other Identifiers

Pubchem ID	96259
InChI Key	OLLQYIBTJXUEEX-UHFFFAOYSA-N
MDL Number	MFCD00009202

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.76
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.78
Ghose	None
GI Absorption	High
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.55 cm/s
Log Po/w (iLOGP)	2.24
Log Po/w (MLOGP)	0.42
Log Po/w (SILICOS-IT)	0.88
Log Po/w (WLOGP)	0.25
Log Po/w (XLOGP3)	-0.01
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	2.21
Topological Polar Surface Area	72.83 Å²
Veber	0.0

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