(6R,7R)-4-Methoxybenzyl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Name: (6R,7R)-4-Methoxybenzyl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
SKU: PI113479655
Rating: 5 (1 reviews)

Cat. No.: PI113479655

Product Details Other Identifiers Computed Properties

CAS	113479-65-5
Purity	95%
Molecular Formula	C16H18Cl2N2O4S
Molecular Weight	405.30
Molar Refractivity	102.01

Pubchem ID	14032024
InChI Key	LYIIGHOYDRRHAJ-XRZFDKQNSA-N
MDL Number	MFCD00191255

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.44
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.38
Ghose	None
GI Absorption	High
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.56 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.89
Log Po/w (SILICOS-IT)	1.88
Log Po/w (WLOGP)	1.74
Log Po/w (XLOGP3)	1.71
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	6
Synthetic Accessibility	4.38
Topological Polar Surface Area	107.16 Å²
Veber	0.0

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