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[ CAS No. 183673-71-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 183673-71-4
Chemical Structure| 183673-71-4
Structure of 183673-71-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 183673-71-4 ]

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Product Details of [ 183673-71-4 ]

CAS No. :183673-71-4 MDL No. :MFCD01318728
Formula : C11H20N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :YNHLVALLAURVJF-UHFFFAOYSA-N
M.W : 244.29 Pubchem ID :693797
Synonyms :
1-Boc-4-Aminopiperidine-4-carboxylic acid
Chemical Name :4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

Calculated chemistry of [ 183673-71-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 65.92
TPSA : 92.86 ?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) : -9.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : -2.17
Log Po/w (WLOGP) : 0.42
Log Po/w (MLOGP) : -2.0
Log Po/w (SILICOS-IT) : -0.21
Consensus Log Po/w : -0.41

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.28
Solubility : 462.0 mg/ml ; 1.89 mol/l
Class : Highly soluble
Log S (Ali) : 0.75
Solubility : 1380.0 mg/ml ; 5.63 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.51
Solubility : 74.8 mg/ml ; 0.306 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.28

Safety of [ 183673-71-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 183673-71-4 ]

* 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 [ 183673-71-4 ]

[ 183673-71-4 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 102774-86-7 ]
  • [ 183673-71-4 ]
  • [ 183673-66-7 ]
  • 2
  • [ 183673-68-9 ]
  • [ 183673-71-4 ]
  • 3
  • [ 183673-71-4 ]
  • [ 2937-50-0 ]
  • [ 495414-58-9 ]
  • 4
  • [ 67-56-1 ]
  • [ 183673-71-4 ]
  • [ 590-86-3 ]
  • [ 630132-95-5 ]
  • 5
  • [ 188440-21-3 ]
  • [ 183673-71-4 ]
  • [ 1026484-91-2 ]
  • 6
  • [ 183673-71-4 ]
  • [ 18908-07-1 ]
  • 4-[3-(3-methoxy-phenyl)-ureido]-piperidine-1,4-dicarboxylic acid mono-<i>tert</i>-butyl ester [ No CAS ]
  • 7
  • [ 501-53-1 ]
  • [ 183673-71-4 ]
  • [ 288154-16-5 ]
  • 11
  • [ 183673-71-4 ]
  • C32H34N4O3 [ No CAS ]
  • 12
  • [ 183673-71-4 ]
  • [ 940290-02-8 ]
  • 13
  • [ 183673-71-4 ]
  • [ 940290-03-9 ]
  • 14
  • [ 183673-71-4 ]
  • [ 940290-04-0 ]
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Technical Information

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