Gatifloxacin Sesquihydrate

Name: Gatifloxacin Sesquihydrate
SKU: PI180200662
Rating: 5 (1 reviews)

Catalog NumberPI180200662

CAS Number180200-66-2

CategoryAnti-Infection Intermediates

Product Details

Synonyms	1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid sesquihydrate
Purity	95%
Molecular Formula	C38H50F2N6O11
Molecular Weight	804.83
Molar Refractivity	222.23

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Other Identifiers

Pubchem ID	5282384
InChI Key	RMJMZKDEVNTXHE-UHFFFAOYSA-N
MDL Number	MFCD22373645

Computed Properties

Aromatic Heavy Atoms Number	20
BBB Permeant	No
Bioavailability Score	0.17
Brenk	0.0 alert
Consensus Log Po/w	1.5
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.47
Ghose	None
GI Absorption	Low
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	15.0
Hydrogen Bond Donor Count	7.0
Leadlikeness	2.0
Lipinski	3.0
Log Kp (Skin Permeation)	-11.89 cm/s
Log Po/w (iLOGP)	4.9
Log Po/w (MLOGP)	-1.44
Log Po/w (SILICOS-IT)	2.04
Log Po/w (WLOGP)	2.96
Log Po/w (XLOGP3)	-0.96
Muegge	5.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	6.08
Topological Polar Surface Area	195.29 Å²
Veber	1.0

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