1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabi

Introduction

CAS No. :	123171-59-5	MDL No. :	MFCD12545909
Formula :	C19H28Cl2N6O6S2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	571.50	Pubchem ID :	-
Synonyms :	Cefepime (hydrochloride hydrate)	Chemical Name :	1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-1-methylpyrrolidin-1-ium chloride hydrochloride hydrate

Physicochemical Properties

Num. heavy atoms :	35
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.53
Num. rotatable bonds :	8
Num. H-bond acceptors :	8.0
Num. H-bond donors :	4.0
Molar Refractivity :	144.65
TPSA :	209.98 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.42
Log Po/w (WLOGP) :	-2.96
Log Po/w (MLOGP) :	-4.26
Log Po/w (SILICOS-IT) :	0.61
Consensus Log Po/w :	-1.24

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.11

Water Solubility

Log S (ESOL) :	-3.23
Solubility :	0.34 mg/ml ; 0.000595 mol/l
Class :	Soluble
Log S (Ali) :	-4.4
Solubility :	0.0229 mg/ml ; 0.0000401 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.83
Solubility :	0.838 mg/ml ; 0.00147 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.36

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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