(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Name: (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
SKU: PI95716704
Rating: 5 (1 reviews)

Catalog NumberPI95716704

CAS Number95716-70-4

CategoryCardiovascular Agents Intermediates

(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Product Details

Purity	95%
Molecular Formula	C24H30O5
Molecular Weight	398.49
Molar Refractivity	108.25

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Other Identifiers

Pubchem ID	10272193
InChI Key	GWEKWJOSBYDYDP-DPOGTSLVSA-N
MDL Number	MFCD01244531

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	3.39
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.71
Ghose	None
GI Absorption	High
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.04 cm/s
Log Po/w (iLOGP)	3.16
Log Po/w (MLOGP)	3.48
Log Po/w (SILICOS-IT)	4.01
Log Po/w (WLOGP)	3.91
Log Po/w (XLOGP3)	2.38
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	5.64
Topological Polar Surface Area	69.67 Å²
Veber	0.0

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