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8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

Name: 8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-
SKU: PI1206524857
Rating: 5 (1 reviews)

Cat. No.: PI1206524857

8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

Product Details Other Identifiers Computed Properties

CAS	1206524-85-7
Purity	99%
Molecular Formula	C29H38N4O7
Molecular Weight	554.63
Molar Refractivity	154.59

Pubchem ID	46930991
InChI Key	IVROMYPOGKZNLP-FDOFPDFBSA-N
MDL Number	MFCD31561044

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	3
Topological Polar Surface Area	140.18 Å²
Heavy Atom Count	40
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.62
Log Po/w (iLOGP)	3.97
Log Po/w (XLOGP3)	4.64
Log Po/w (WLOGP)	2.96
Log Po/w (MLOGP)	1.79
Log Po/w (SILICOS-IT)	1.95
Consensus Log Po/w	3.06
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.39 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	6.9

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