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[ CAS No. 1632-74-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1632-74-2
Chemical Structure| 1632-74-2
Structure of 1632-74-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1632-74-2 ]

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Product Details of [ 1632-74-2 ]

CAS No. :1632-74-2 MDL No. :MFCD06637608
Formula : C6H8N2 Boiling Point : -
Linear Structure Formula :- InChI Key :BGVTUIRPHLSMJU-UHFFFAOYSA-N
M.W : 108.14 Pubchem ID :527031
Synonyms :

Calculated chemistry of [ 1632-74-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 31.96
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 0.65
Log Po/w (WLOGP) : 1.09
Log Po/w (MLOGP) : 0.68
Log Po/w (SILICOS-IT) : 1.81
Consensus Log Po/w : 1.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.47
Solubility : 3.62 mg/ml ; 0.0335 mol/l
Class : Very soluble
Log S (Ali) : -0.77
Solubility : 18.5 mg/ml ; 0.171 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.36
Solubility : 0.471 mg/ml ; 0.00436 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.2

Safety of [ 1632-74-2 ]

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 [ 1632-74-2 ]

* 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 [ 1632-74-2 ]

[ 1632-74-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1632-74-2 ]
  • [ 2632-14-6 ]
  • [ 505097-16-5 ]
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