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[ CAS No. 107264-00-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 107264-00-6
Chemical Structure| 107264-00-6
Structure of 107264-00-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 107264-00-6 ]

CAS No. :107264-00-6 MDL No. :MFCD00067525
Formula : C9H11F4NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :PRIGFEJKMMRJSF-UHFFFAOYSA-M
M.W : 289.25 Pubchem ID :2724575
Synonyms :

Calculated chemistry of [ 107264-00-6 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 1
Num. H-bond acceptors : 7.0
Num. H-bond donors : 0.0
Molar Refractivity : 55.97
TPSA : 69.46 Ų

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) : -5.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.04
Log Po/w (XLOGP3) : 3.0
Log Po/w (WLOGP) : 4.44
Log Po/w (MLOGP) : 1.45
Log Po/w (SILICOS-IT) : 2.3
Consensus Log Po/w : 2.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.7
Solubility : 0.0572 mg/ml ; 0.000198 mol/l
Class : Soluble
Log S (Ali) : -4.12
Solubility : 0.0218 mg/ml ; 0.0000753 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.62
Solubility : 0.7 mg/ml ; 0.00242 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.26

Safety of [ 107264-00-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 107264-00-6 ]

* 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 [ 107264-00-6 ]
  • Downstream synthetic route of [ 107264-00-6 ]

[ 107264-00-6 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 108-75-8 ]
  • [ 33454-82-9 ]
  • [ 107264-00-6 ]
Reference: [1] Tetrahedron, 1993, vol. 49, # 11, p. 2151 - 2158
  • 2
  • [ 108-75-8 ]
  • [ 2926-30-9 ]
  • [ 107264-00-6 ]
  • [ 135182-78-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1081 - 1092
  • 3
  • [ 108-75-8 ]
  • [ 2926-29-6 ]
  • [ 107264-00-6 ]
Reference: [1] Tetrahedron Letters, 1986, vol. 27, # 28, p. 3271 - 3274
  • 4
  • [ 108-75-8 ]
  • [ 2926-27-4 ]
  • [ 107264-00-6 ]
  • [ 135182-78-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1081 - 1092
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