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[ CAS No. 624-84-0 ] {[proInfo.proName]}

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Chemical Structure| 624-84-0
Chemical Structure| 624-84-0
Structure of 624-84-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 624-84-0 ]

CAS No. :624-84-0 MDL No. :MFCD00007589
Formula : CH4N2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :XZBIXDPGRMLSTC-UHFFFAOYSA-N
M.W : 60.06 Pubchem ID :12229
Synonyms :

Calculated chemistry of [ 624-84-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 4
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 13.02
TPSA : 55.12 ?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) : -7.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.12
Log Po/w (XLOGP3) : -1.19
Log Po/w (WLOGP) : -1.39
Log Po/w (MLOGP) : -1.2
Log Po/w (SILICOS-IT) : -0.7
Consensus Log Po/w : -0.87

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.6
Solubility : 241.0 mg/ml ; 4.01 mol/l
Class : Highly soluble
Log S (Ali) : 0.53
Solubility : 202.0 mg/ml ; 3.36 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.65
Solubility : 270.0 mg/ml ; 4.5 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.1

Safety of [ 624-84-0 ]

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

Application In Synthesis of [ 624-84-0 ]

* 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.

  • Upstream synthesis route of [ 624-84-0 ]
  • Downstream synthetic route of [ 624-84-0 ]

[ 624-84-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 122-51-0 ]
  • [ 624-84-0 ]
  • [ 74-89-5 ]
  • [ 10570-40-8 ]
Reference： [1] New Journal of Chemistry, 2001, vol. 25, # 1, p. 144 - 150
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