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[ CAS No. 140-87-4 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 140-87-4
Chemical Structure| 140-87-4
Structure of 140-87-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 140-87-4 ]

Related Doc. of [ 140-87-4 ]

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Product Citations

Product Details of [ 140-87-4 ]

CAS No. :140-87-4 MDL No. :MFCD00007611
Formula : C3H5N3O Boiling Point : -
Linear Structure Formula :NCCH2CONHNH2 InChI Key :HPHBOJANXDKUQD-UHFFFAOYSA-N
M.W : 99.09 Pubchem ID :8820
Synonyms :
2-Cyanoacetohydrazide

Calculated chemistry of [ 140-87-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 21.99
TPSA : 78.91 ?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) : -7.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.06
Log Po/w (XLOGP3) : -1.32
Log Po/w (WLOGP) : -1.11
Log Po/w (MLOGP) : -1.4
Log Po/w (SILICOS-IT) : -1.33
Consensus Log Po/w : -1.02

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.51
Solubility : 320.0 mg/ml ; 3.23 mol/l
Class : Highly soluble
Log S (Ali) : 0.16
Solubility : 144.0 mg/ml ; 1.45 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.07
Solubility : 116.0 mg/ml ; 1.17 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.62

Safety of [ 140-87-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P305+P351+P338-P311 UN#:2811
Hazard Statements:H302+H312-H315-H319-H331-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 140-87-4 ]

* 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 [ 140-87-4 ]

[ 140-87-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 6283-81-4 ]
  • [ 140-87-4 ]
  • Potassium; 1'-amino-5'-cyano-6'-oxo-1',6'-dihydro-[3,4']bipyridinyl-2'-olate [ No CAS ]
  • 2
  • [ 140-87-4 ]
  • [ 6668-24-2 ]
  • [ 157338-57-3 ]
  • 3
  • [ 140-87-4 ]
  • [ 42059-80-3 ]
  • Cyano-acetic acid [1-(6-nitro-4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-hydrazide [ No CAS ]
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