Diethyl 1,1-cyclopropanedicarboxylate

Name: Diethyl 1,1-cyclopropanedicarboxylate
SKU: PI1559020
Rating: 5 (1 reviews)

Catalog NumberPI1559020

CAS Number1559-02-0

CategoryAntineoplastics Intermediates

Product Details

Purity	95%
Molecular Formula	C9H14O4
Molecular Weight	186.21
Molar Refractivity	45.57

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Other Identifiers

Pubchem ID	73790
InChI Key	KYYUCZOHNYSLFV-UHFFFAOYSA-N
MDL Number	MFCD00001283

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.4
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	13
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.57 cm/s
Log Po/w (iLOGP)	2.49
Log Po/w (MLOGP)	0.86
Log Po/w (SILICOS-IT)	1.58
Log Po/w (WLOGP)	0.83
Log Po/w (XLOGP3)	1.22
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	1.91
Topological Polar Surface Area	52.6 Å²
Veber	0.0

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