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Chemistry
Heterocyclic Building Blocks
Imidazolidines
imidazolidine-2,4-dione
1-Aminohydantoin HCl
Chemistry
Pharmaceutical Research
Heterocyclic Building Blocks
Organic Building Blocks Drug Analysis
Imidazolidines
Imidazolines Amines Amides Hydrazines Drug Standard Aliphatic Heterocycles
imidazolidine-2,4-dione

[ CAS No. 2827-56-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2827-56-7
Chemical Structure| 2827-56-7
Structure of 2827-56-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2827-56-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2827-56-7 ]

SDS Specification
Alternatived Products of [ 2827-56-7 ]

Product Details of [ 2827-56-7 ]

CAS No. :2827-56-7 MDL No. :MFCD02093080
Formula : C3H6ClN3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WEOHANUVLKERQI-UHFFFAOYSA-N
M.W : 151.55 Pubchem ID :12472963
Synonyms :
Chemical Name :1-Aminohydantoin hydrochloride

Calculated chemistry of [ 2827-56-7 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.41
TPSA : 75.43 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) : -7.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.81
Log Po/w (WLOGP) : -1.55
Log Po/w (MLOGP) : -0.95
Log Po/w (SILICOS-IT) : -1.18
Consensus Log Po/w : -0.9

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.27
Solubility : 81.5 mg/ml ; 0.538 mol/l
Class : Very soluble
Log S (Ali) : -0.29
Solubility : 76.9 mg/ml ; 0.507 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.54
Solubility : 524.0 mg/ml ; 3.46 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 2827-56-7 ]

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

Application In Synthesis of [ 2827-56-7 ]

* 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 [ 2827-56-7 ]
  • Downstream synthetic route of [ 2827-56-7 ]

[ 2827-56-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 698-63-5 ]
  • [ 2827-56-7 ]
  • [ 67-20-9 ]
Reference： [1] Green Chemistry, 2018, vol. 20, # 13, p. 2973 - 2977
  • 2
  • [ 67-20-9 ]
  • [ 2827-56-7 ]
Reference： [1] Journal of Agricultural and Food Chemistry, 2017, vol. 65, # 21, p. 4255 - 4261

Tags: 2827-56-7 synthesis path| 2827-56-7 SDS| 2827-56-7 COA| 2827-56-7 purity| 2827-56-7 application| 2827-56-7 NMR| 2827-56-7 COA| 2827-56-7 structure

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Heterocyclic Building Blocks
Imidazolidines
imidazolidine-2,4-dione
Chemistry
Heterocyclic Building Blocks
Imidazolines
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Amines
Chemistry
Organic Building Blocks
Amides
Chemistry
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Drug Standard
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Historical Records

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