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[ CAS No. 360-97-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 360-97-4
Chemical Structure| 360-97-4
Structure of 360-97-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 360-97-4 ]

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Product Details of [ 360-97-4 ]

CAS No. :360-97-4 MDL No. :MFCD02181040
Formula : C4H6N4O Boiling Point : No data available
Linear Structure Formula :NCHNHC(NH2)C(C(O)NH2) InChI Key :DVNYTAVYBRSTGK-UHFFFAOYSA-N
M.W : 126.12 Pubchem ID :9679
Synonyms :
Chemical Name :4-Amino-1H-imidazole-5-carboxamide

Calculated chemistry of [ 360-97-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 3.0
Molar Refractivity : 31.09
TPSA : 97.79 ?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) : -7.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.06
Log Po/w (XLOGP3) : -1.1
Log Po/w (WLOGP) : -0.9
Log Po/w (MLOGP) : -1.77
Log Po/w (SILICOS-IT) : -0.49
Consensus Log Po/w : -0.84

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 : 67.1 mg/ml ; 0.532 mol/l
Class : Very soluble
Log S (Ali) : -0.46
Solubility : 43.4 mg/ml ; 0.344 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.42
Solubility : 47.5 mg/ml ; 0.377 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.63

Safety of [ 360-97-4 ]

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 [ 360-97-4 ]

* 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 [ 360-97-4 ]
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