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[ CAS No. 34967-24-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

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+
3d Animation Molecule Structure of 34967-24-3
Chemical Structure| 34967-24-3
Chemical Structure| 34967-24-3
Structure of 34967-24-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 34967-24-3 ]

CAS No. :34967-24-3 MDL No. :MFCD00052813
Formula : C9H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :YGZJTYCCONJJGZ-UHFFFAOYSA-N
M.W : 167.21 Pubchem ID :420973
Synonyms :

Calculated chemistry of [ 34967-24-3 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.1
TPSA : 44.48 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) : -6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 0.72
Log Po/w (WLOGP) : 1.01
Log Po/w (MLOGP) : 0.92
Log Po/w (SILICOS-IT) : 1.44
Consensus Log Po/w : 1.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.5
Solubility : 5.26 mg/ml ; 0.0315 mol/l
Class : Very soluble
Log S (Ali) : -1.23
Solubility : 9.79 mg/ml ; 0.0586 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.69
Solubility : 0.341 mg/ml ; 0.00204 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.23

Safety of [ 34967-24-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 34967-24-3 ]

* 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 [ 34967-24-3 ]
  • Downstream synthetic route of [ 34967-24-3 ]

[ 34967-24-3 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 7311-34-4 ]
  • [ 34967-24-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 21, p. 6197 - 6208
  • 2
  • [ 19179-31-8 ]
  • [ 34967-24-3 ]
Reference: [1] Chemische Berichte, 1968, vol. 101, # 10, p. 3623 - 3641
[2] Journal of Organic Chemistry, 1975, vol. 40, p. 2883 - 2890
  • 3
  • [ 500-99-2 ]
  • [ 34967-24-3 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 11, p. 2818 - 2821
[2] Organic Letters, 2012, vol. 14, # 11, p. 2818 - 2821
  • 4
  • [ 54118-32-0 ]
  • [ 34967-24-3 ]
  • [ 97294-65-0 ]
Reference: [1] Journal of Medicinal Chemistry, 1985, vol. 28, # 10, p. 1440 - 1446
[2] Journal of Medicinal Chemistry, 1985, vol. 28, # 10, p. 1440 - 1446
  • 5
  • [ 7051-16-3 ]
  • [ 34967-24-3 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 11, p. 2818 - 2821
  • 6
  • [ 135678-66-9 ]
  • [ 34967-24-3 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 11, p. 2818 - 2821
  • 7
  • [ 128612-44-2 ]
  • [ 34967-24-3 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 11, p. 2818 - 2821
  • 8
  • [ 17213-58-0 ]
  • [ 34967-24-3 ]
Reference: [1] Journal of the American Chemical Society, 1959, vol. 81, p. 4278,4283[2] Organic Syntheses, 1973, vol. Coll. Vol. V, p. 400
  • 9
  • [ 34967-25-4 ]
  • [ 34967-24-3 ]
Reference: [1] Tetrahedron, 1977, vol. 33, p. 489 - 495
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