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[ CAS No. 32159-21-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 32159-21-0
Chemical Structure| 32159-21-0
Structure of 32159-21-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 32159-21-0 ]

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Product Details of [ 32159-21-0 ]

CAS No. :32159-21-0 MDL No. :MFCD00037352
Formula : C13H13NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :VHSFUGXCSGOKJX-JTQLQIEISA-N
M.W : 263.25 Pubchem ID :637648
Synonyms :
Chemical Name :(S)-1-((Benzyloxy)carbonyl)-5-oxopyrrolidine-2-carboxylic acid

Calculated chemistry of [ 32159-21-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.31
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 68.59
TPSA : 83.91 ?2

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) : -7.12 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 1.1
Log Po/w (WLOGP) : 0.87
Log Po/w (MLOGP) : 0.41
Log Po/w (SILICOS-IT) : 0.73
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.07
Solubility : 2.25 mg/ml ; 0.00853 mol/l
Class : Soluble
Log S (Ali) : -2.45
Solubility : 0.924 mg/ml ; 0.00351 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.97
Solubility : 2.81 mg/ml ; 0.0107 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.71

Safety of [ 32159-21-0 ]

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 [ 32159-21-0 ]

* 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 [ 32159-21-0 ]

[ 32159-21-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 32159-21-0 ]
  • [ 2899-28-7 ]
  • [ 87694-59-5 ]
  • 2
  • [ 32159-21-0 ]
  • [ 2886-33-1 ]
  • [ 121657-17-8 ]
  • 3
  • [ 4530-20-5 ]
  • [ 15761-38-3 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • [ 23680-31-1 ]
  • [ 32159-21-0 ]
  • [ 73821-95-1 ]
  • [ 61925-77-7 ]
  • [ 54613-99-9 ]
  • [ 47355-10-2 ]
  • [ 83468-83-1 ]
  • rerdused μ-conotoxin SIIIA [ No CAS ]
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