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[ CAS No. 4353-32-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4353-32-6
Chemical Structure| 4353-32-6
Structure of 4353-32-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4353-32-6 ]

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Product Details of [ 4353-32-6 ]

CAS No. :4353-32-6 MDL No. :MFCD00077167
Formula : C13H20N4O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :SLTWQHUEZWYAOI-NSHDSACASA-N
M.W : 328.39 Pubchem ID :7408233
Synonyms :

Calculated chemistry of [ 4353-32-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 9
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 82.21
TPSA : 153.75 ?2

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) : -9.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.63
Log Po/w (XLOGP3) : -1.7
Log Po/w (WLOGP) : 1.07
Log Po/w (MLOGP) : -2.4
Log Po/w (SILICOS-IT) : -0.38
Consensus Log Po/w : -0.36

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.41
Solubility : 127.0 mg/ml ; 0.387 mol/l
Class : Very soluble
Log S (Ali) : -1.02
Solubility : 31.7 mg/ml ; 0.0964 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.16
Solubility : 0.228 mg/ml ; 0.000693 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.17

Safety of [ 4353-32-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4353-32-6 ]

* 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 [ 4353-32-6 ]

[ 4353-32-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 4353-32-6 ]
  • [ 117922-49-3 ]
  • [ 117902-97-3 ]
  • 2
  • [ 4353-32-6 ]
  • [ 88419-43-6 ]
  • Z(OMe)-Lys(Z)-Tyr-Arg(Tos)-OH [ No CAS ]
  • 3
  • [ 4353-32-6 ]
  • [(R)-5-[(S)-1-Azidocarbonyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-5-(4-methoxy-benzyloxycarbonylamino)-pentyl]-carbamic acid benzyl ester [ No CAS ]
  • [ 97186-06-6 ]
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