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[ CAS No. 64205-12-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 64205-12-5
Chemical Structure| 64205-12-5
Structure of 64205-12-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 64205-12-5 ]

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Product Details of [ 64205-12-5 ]

CAS No. :64205-12-5 MDL No. :MFCD00063031
Formula : C17H17NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :MCRMUCXATQAAMN-OAHLLOKOSA-N
M.W : 315.32 Pubchem ID :736160
Synonyms :
Z-D-tyrosine

Calculated chemistry of [ 64205-12-5 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.18
Num. rotatable bonds : 8
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 83.39
TPSA : 95.86 Ų

Pharmacokinetics

GI absorption : High
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) : -7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 2.16
Log Po/w (MLOGP) : 1.93
Log Po/w (SILICOS-IT) : 1.91
Consensus Log Po/w : 1.94

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.74
Solubility : 0.578 mg/ml ; 0.00183 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.141 mg/ml ; 0.000448 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.29
Solubility : 0.016 mg/ml ; 0.0000508 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.88

Safety of [ 64205-12-5 ]

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

Application In Synthesis of [ 64205-12-5 ]

* 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 [ 64205-12-5 ]
  • Downstream synthetic route of [ 64205-12-5 ]

[ 64205-12-5 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 556-02-5 ]
  • [ 501-53-1 ]
  • [ 64205-12-5 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 19, p. 5142 - 5145,4
  • 2
  • [ 64-17-5 ]
  • [ 5618-98-4 ]
  • [ 16679-94-0 ]
  • [ 64205-12-5 ]
Reference: [1] Synthetic Communications, 1988, vol. 18, # 4, p. 441 - 444
  • 3
  • [ 5618-98-4 ]
  • [ 60-18-4 ]
  • [ 64205-12-5 ]
Reference: [1] Advanced Synthesis and Catalysis, 2003, vol. 345, # 6-7, p. 830 - 834
  • 4
  • [ 556-02-5 ]
  • [ 64205-12-5 ]
Reference: [1] Patent: US4317770, 1982, A,
  • 5
  • [ 556-02-5 ]
  • [ 75315-63-8 ]
  • [ 64205-12-5 ]
Reference: [1] Tetrahedron, 1999, vol. 55, # 16, p. 5157 - 5170
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