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[ CAS No. 138199-71-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 138199-71-0
Chemical Structure| 138199-71-0
Structure of 138199-71-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 138199-71-0 ]

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Product Details of [ 138199-71-0 ]

CAS No. :138199-71-0 MDL No. :MFCD07772024
Formula : C36H42F2N6O9 Boiling Point : -
Linear Structure Formula :- InChI Key :SUIQUYDRLGGZOL-RCWTXCDDSA-N
M.W : 740.75 Pubchem ID :3033924
Synonyms :
Levofloxacin hemihydrate;Levaquin hydrate;Cravit hydrate;Iquix hydrate;Quixin hydrate;Tavanic hydrate

Calculated chemistry of [ 138199-71-0 ]

Physicochemical Properties

Num. heavy atoms : 53
Num. arom. heavy atoms : 20
Fraction Csp3 : 0.44
Num. rotatable bonds : 4
Num. H-bond acceptors : 13.0
Num. H-bond donors : 3.0
Molar Refractivity : 206.71
TPSA : 159.25 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -11.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.62
Log Po/w (XLOGP3) : -0.95
Log Po/w (WLOGP) : 2.34
Log Po/w (MLOGP) : -0.06
Log Po/w (SILICOS-IT) : 1.47
Consensus Log Po/w : 1.48

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -3.85
Solubility : 0.105 mg/ml ; 0.000141 mol/l
Class : Soluble
Log S (Ali) : -1.91
Solubility : 9.12 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.01
Solubility : 0.731 mg/ml ; 0.000986 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 5.84

Safety of [ 138199-71-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P260-P263-P264-P270-P272-P280-P284-P301+P312+P330-P302+P352-P304+P340-P308+P313-P333+P313-P405-P501 UN#:2811
Hazard Statements:H302-H317-H334-H361-H362 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 138199-71-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 138199-71-0 ]
  • Downstream synthetic route of [ 138199-71-0 ]

[ 138199-71-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 109-01-3 ]
  • [ 100986-89-8 ]
  • [ 138199-71-0 ]
Reference: [1] Patent: US2003/130507, 2003, A1,
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