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[ CAS No. 547-32-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 547-32-0
Chemical Structure| 547-32-0
Structure of 547-32-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 547-32-0 ]

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Product Details of [ 547-32-0 ]

CAS No. :547-32-0 MDL No. :MFCD00067333
Formula : C10H9N4NaO2S Boiling Point : -
Linear Structure Formula :- InChI Key :JLDCNMJPBBKAHH-UHFFFAOYSA-N
M.W : 272.26 Pubchem ID :15899898
Synonyms :
Sulfadiazin-natrium;Sulfadiazine sodium
Chemical Name :4-Amino-N-(pyrimidin-2-yl)benzenesulfonamide, sodium salt

Calculated chemistry of [ 547-32-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 63.55
TPSA : 106.35 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : -8.61
Log Po/w (XLOGP3) : -0.09
Log Po/w (WLOGP) : 1.76
Log Po/w (MLOGP) : -0.6
Log Po/w (SILICOS-IT) : -0.26
Consensus Log Po/w : -1.56

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.77
Solubility : 4.61 mg/ml ; 0.0169 mol/l
Class : Very soluble
Log S (Ali) : -1.69
Solubility : 5.56 mg/ml ; 0.0204 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.79
Solubility : 0.044 mg/ml ; 0.000161 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.36

Safety of [ 547-32-0 ]

Signal Word:Danger Class:9
Precautionary Statements:P280-P305+P351+P338+P310 UN#:3077
Hazard Statements:H318-H411 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 547-32-0 ]

* 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.

  • Downstream synthetic route of [ 547-32-0 ]

[ 547-32-0 ] Synthesis Path-Downstream   1~13

  • 2
  • [ 5335-05-7 ]
  • [ 547-32-0 ]
  • 4-amino-N-benzoyloxymethyl-N-(2-pyrimidinyl)benzenesulfonamide [ No CAS ]
  • 3
  • nickel(II) chloride hexahydrate [ No CAS ]
  • [ 547-32-0 ]
  • Ni(sulfadiazine)2(H2O)2*2H2O [ No CAS ]
  • 5
  • manganese(II) chloride tetrahydrate [ No CAS ]
  • [ 547-32-0 ]
  • [ 1096051-49-8 ]
  • 6
  • vanadyl(IV) sulphate pentahydrate [ No CAS ]
  • [ 547-32-0 ]
  • VO(sulfadiazine)2(H2O)*H2O [ No CAS ]
  • 7
  • [ 1600-27-7 ]
  • [ 547-32-0 ]
  • [ 68-12-2 ]
  • [mercury(II)(sulfadiazine(-H))2(dimethylformamide)2] [ No CAS ]
  • 8
  • zinc(II) chloride hexahydrate [ No CAS ]
  • [ 547-32-0 ]
  • [ 1096051-46-5 ]
  • 9
  • zinc(II) acetate tetrahydrate [ No CAS ]
  • [ 547-32-0 ]
  • [ 1096051-46-5 ]
  • 11
  • [ 67-56-1 ]
  • [ 10025-98-6 ]
  • [ 547-32-0 ]
  • [ 1096051-55-6 ]
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