Pivmecillinam HCl

Name: Pivmecillinam HCl
SKU: PI32887039
Rating: 5 (1 reviews)

Cat. No.: PI32887039

Product Details Other Identifiers Computed Properties

CAS	32887-03-9
Synonyms	(Pivaloyloxy)methyl (2S,5R,6R)-6-((azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride
Purity	98%
Molecular Formula	C21H34ClN3O5S
Molecular Weight	476.03
Molar Refractivity	131.13

Pubchem ID	115162
InChI Key	UHPXMYLONAGUPC-WKLLBTDKSA-N
MDL Number	MFCD01682071

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	8
Topological Polar Surface Area	113.81 Å²
Heavy Atom Count	31
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.81
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	3.9
Log Po/w (WLOGP)	2.45
Log Po/w (MLOGP)	3.14
Log Po/w (SILICOS-IT)	2.41
Consensus Log Po/w	2.38
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.43 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	4.0 alert
Leadlikeness	3.0
Synthetic Accessibility	5.33

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