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[ CAS No. 17664-93-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 17664-93-6
Chemical Structure| 17664-93-6
Structure of 17664-93-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 17664-93-6 ]

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Product Details of [ 17664-93-6 ]

CAS No. :17664-93-6 MDL No. :MFCD00066116
Formula : C20H27NO5S Boiling Point : No data available
Linear Structure Formula :C6H13NO2C7H6·C7H7SO3H InChI Key :QTQGHKVYLQBJLO-UTONKHPSSA-N
M.W : 393.50 Pubchem ID :44629929
Synonyms :
Chemical Name :H-D-Leu-OBzl.TosOH

Calculated chemistry of [ 17664-93-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.35
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 105.51
TPSA : 115.07 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.23
Log Po/w (XLOGP3) : 1.18
Log Po/w (WLOGP) : 4.27
Log Po/w (MLOGP) : 2.96
Log Po/w (SILICOS-IT) : 2.34
Consensus Log Po/w : 2.79

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.89
Solubility : 0.507 mg/ml ; 0.00129 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.253 mg/ml ; 0.000642 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.42
Solubility : 0.151 mg/ml ; 0.000384 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.45

Safety of [ 17664-93-6 ]

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 [ 17664-93-6 ]

* 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 [ 17664-93-6 ]

[ 17664-93-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 2130-96-3 ]
  • [ 17664-93-6 ]
  • [ 66959-93-1 ]
  • 2
  • [ 59969-65-2 ]
  • [ 17664-93-6 ]
  • [ 62058-27-9 ]
  • 3
  • [ 62023-58-9 ]
  • [ 17664-93-6 ]
  • [ 62058-31-5 ]
  • 4
  • [ 17664-93-6 ]
  • [ 62023-60-3 ]
  • (R)-2-((2R,3S)-3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid benzyl ester [ No CAS ]
  • 5
  • [ 17664-93-6 ]
  • [ 62023-59-0 ]
  • [ 62058-29-1 ]
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Technical Information

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[ 17664-93-6 ]

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