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[ CAS No. 1759-53-1 ] {[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| 1759-53-1
Chemical Structure| 1759-53-1
Structure of 1759-53-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1759-53-1 ]

CAS No. :1759-53-1 MDL No. :MFCD00001287
Formula : C4H6O2 Boiling Point : -
Linear Structure Formula :(C3H5)COOH InChI Key :YMGUBTXCNDTFJI-UHFFFAOYSA-N
M.W : 86.09 Pubchem ID :15655
Synonyms :
Chemical Name :Cyclopropanecarboxylic acid

Calculated chemistry of [ 1759-53-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 21.0
TPSA : 37.3 ?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) : -6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.93
Log Po/w (XLOGP3) : 0.63
Log Po/w (WLOGP) : 0.42
Log Po/w (MLOGP) : 0.09
Log Po/w (SILICOS-IT) : 0.48
Consensus Log Po/w : 0.51

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.7
Solubility : 17.0 mg/ml ; 0.197 mol/l
Class : Very soluble
Log S (Ali) : -0.99
Solubility : 8.85 mg/ml ; 0.103 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.25
Solubility : 154.0 mg/ml ; 1.79 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1759-53-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 UN#:3261
Hazard Statements:H314-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1759-53-1 ]

* 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 [ 1759-53-1 ]

[ 1759-53-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6086-21-1 ]
  • [ 1759-53-1 ]
  • 5-cyclopropyl-1-methyl-1<i>H</i>-[1,2,4]triazole [ No CAS ]
  • 2
  • [ 302348-51-2 ]
  • [ 1759-53-1 ]
  • C17H24BNO4 [ No CAS ]
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