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[ CAS No. 304448-55-3 ] {[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+
Chemical Structure| 304448-55-3
Chemical Structure| 304448-55-3
Structure of 304448-55-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 304448-55-3 ]

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Alternatived Products of [ 304448-55-3 ]

Product Details of [ 304448-55-3 ]

CAS No. :304448-55-3 MDL No. :MFCD00292551
Formula : C18H14N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :SYNDQCRDGGCQRZ-VXLYETTFSA-N
M.W : 322.31 Pubchem ID :135533054
Synonyms :

Calculated chemistry of [ 304448-55-3 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 91.19
TPSA : 102.15 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 3.57
Log Po/w (WLOGP) : 2.72
Log Po/w (MLOGP) : 1.97
Log Po/w (SILICOS-IT) : 2.56
Consensus Log Po/w : 2.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.32
Solubility : 0.0155 mg/ml ; 0.0000482 mol/l
Class : Moderately soluble
Log S (Ali) : -5.4
Solubility : 0.00128 mg/ml ; 0.00000397 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.94
Solubility : 0.00373 mg/ml ; 0.0000116 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 3.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.58

Safety of [ 304448-55-3 ]

Signal Word:Danger Class:9
Precautionary Statements:P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501 UN#:3077
Hazard Statements:H302+H312-H315-H318-H411 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 304448-55-3 ]

* 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 [ 304448-55-3 ]
  • Downstream synthetic route of [ 304448-55-3 ]

[ 304448-55-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 5341-58-2 ]
  • [ 139-85-5 ]
  • [ 304448-55-3 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 16, p. 4858 - 4864
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