Carbenicillin disodium

Name: Carbenicillin disodium
SKU: PI4800946
Rating: 5 (1 reviews)

Cat. No.: PI4800946

Product Details Other Identifiers Computed Properties

CAS	4800-94-6
Synonyms	Sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Purity	≥770 u/mg
Molecular Formula	C17H16N2Na2O6S
Molecular Weight	422.36
Molar Refractivity	92.55

Pubchem ID	20933
InChI Key	RTYJTGSCYUUYAL-YCAHSCEMSA-L
MDL Number	MFCD00077683

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	6
Topological Polar Surface Area	154.97 Å²
Heavy Atom Count	28
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.41
Log Po/w (iLOGP)	-25.12
Log Po/w (XLOGP3)	1.13
Log Po/w (WLOGP)	-2.56
Log Po/w (MLOGP)	0.94
Log Po/w (SILICOS-IT)	0.2
Consensus Log Po/w	-5.08
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.07 cm/s
Lipinski	0.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	4.27

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