(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

Name: (4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
SKU: PI1206102115
Rating: 5 (1 reviews)

Cat. No.: PI1206102115

Product Details Other Identifiers Computed Properties

CAS	1206102-11-5
Purity	95%
Molecular Formula	C27H25F2N3O5
Molecular Weight	509.50
Molar Refractivity	133.43

Pubchem ID	66554053
InChI Key	RWEIORQEUUWOLH-ZHRRBRCNSA-N
MDL Number	MFCD22741602

Aromatic Heavy Atoms Number	18
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.3
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.3
Ghose	None
GI Absorption	High
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-6.77 cm/s
Log Po/w (iLOGP)	3.29
Log Po/w (MLOGP)	2.29
Log Po/w (SILICOS-IT)	3.83
Log Po/w (WLOGP)	3.38
Log Po/w (XLOGP3)	3.71
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	7
Synthetic Accessibility	4.78
Topological Polar Surface Area	89.87 Å²
Veber	0.0

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