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[ CAS No. 35825-57-1 ] {[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| 35825-57-1
Chemical Structure| 35825-57-1
Structure of 35825-57-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 35825-57-1 ]

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Alternatived Products of [ 35825-57-1 ]

Product Details of [ 35825-57-1 ]

CAS No. :35825-57-1 MDL No. :MFCD07636810
Formula : C19H20O3 Boiling Point : -
Linear Structure Formula :- InChI Key :GVKKJJOMQCNPGB-JTQLQIEISA-N
M.W : 296.36 Pubchem ID :160254
Synonyms :
Cryptotanshinon;Tanshinone c

Calculated chemistry of [ 35825-57-1 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.47
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 85.13
TPSA : 43.37 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.81
Log Po/w (XLOGP3) : 3.8
Log Po/w (WLOGP) : 3.44
Log Po/w (MLOGP) : 2.36
Log Po/w (SILICOS-IT) : 4.76
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.27
Solubility : 0.0158 mg/ml ; 0.0000533 mol/l
Class : Moderately soluble
Log S (Ali) : -4.41
Solubility : 0.0117 mg/ml ; 0.0000393 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.57
Solubility : 0.000807 mg/ml ; 0.00000272 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 2.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.11

Safety of [ 35825-57-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P273-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 35825-57-1 ]

* 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.

  • Upstream synthesis route of [ 35825-57-1 ]
  • Downstream synthetic route of [ 35825-57-1 ]

[ 35825-57-1 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 109664-02-0 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 2
  • [ 2270-59-9 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 3
  • [ 171979-69-4 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 4
  • [ 33214-70-9 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 5
  • [ 171979-70-7 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 6
  • [ 171979-71-8 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 7
  • [ 171979-68-3 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 8
  • [ 171979-67-2 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
  • 9
  • [ 171979-72-9 ]
  • [ 35825-57-1 ]
Reference: [1] Journal of Organic Chemistry, 1995, vol. 60, # 26, p. 8341 - 8350
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