(2'R,7R,8S,9S,10R,11R,13S,14S)-Methyl 11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Name: (2'R,7R,8S,9S,10R,11R,13S,14S)-Methyl 11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
SKU: PI192704566
Rating: 5 (1 reviews)

Catalog NumberPI192704566

CAS Number192704-56-6

CategoryCardiovascular Agents Intermediates

(2'R,7R,8S,9S,10R,11R,13S,14S)-Methyl 11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Product Details

Purity	97%
Molecular Formula	C24H32O6
Molecular Weight	416.51
Molar Refractivity	109.89

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Other Identifiers

Pubchem ID	637221
InChI Key	ZYDNRZOTRVTMRC-IIYDDONESA-N
MDL Number	MFCD18252911

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.55
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.79
Ghose	None
GI Absorption	High
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-8.12 cm/s
Log Po/w (iLOGP)	2.9
Log Po/w (MLOGP)	2.75
Log Po/w (SILICOS-IT)	3.13
Log Po/w (WLOGP)	2.96
Log Po/w (XLOGP3)	1.01
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	2
Synthetic Accessibility	5.96
Topological Polar Surface Area	89.9 Å²
Veber	0.0

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