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[ CAS No. 25026-34-0 ] {[proInfo.proName]}

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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 25026-34-0
Chemical Structure| 25026-34-0
Chemical Structure| 25026-34-0
Structure of 25026-34-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 25026-34-0 ]

CAS No. :25026-34-0 MDL No. :MFCD00037111
Formula : C8H6Cl2O Boiling Point : -
Linear Structure Formula :- InChI Key :UMQUIRYNOVNYPA-UHFFFAOYSA-N
M.W : 189.04 Pubchem ID :90692
Synonyms :

Calculated chemistry of [ 25026-34-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.22
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.06
Log Po/w (XLOGP3) : 3.1
Log Po/w (WLOGP) : 2.65
Log Po/w (MLOGP) : 2.67
Log Po/w (SILICOS-IT) : 3.3
Consensus Log Po/w : 2.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.24
Solubility : 0.11 mg/ml ; 0.00058 mol/l
Class : Soluble
Log S (Ali) : -3.13
Solubility : 0.141 mg/ml ; 0.000747 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.98
Solubility : 0.0196 mg/ml ; 0.000104 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.29

Safety of [ 25026-34-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501 UN#:3265
Hazard Statements:H302-H312-H314-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 25026-34-0 ]

* 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 [ 25026-34-0 ]
  • Downstream synthetic route of [ 25026-34-0 ]

[ 25026-34-0 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 1878-66-6 ]
  • [ 25026-34-0 ]
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  • 2
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  • [ 79-37-8 ]
  • [ 25026-34-0 ]
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  • 3
  • [ 3282-33-5 ]
  • [ 25026-34-0 ]
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  • 4
  • [ 74-11-3 ]
  • [ 25026-34-0 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 15, p. 1723 - 1727
  • 5
  • [ 873-76-7 ]
  • [ 25026-34-0 ]
Reference: [1] Scientia Pharmaceutica, 2001, vol. 69, # 4, p. 329 - 350
  • 6
  • [ 140-53-4 ]
  • [ 25026-34-0 ]
Reference: [1] Scientia Pharmaceutica, 2001, vol. 69, # 4, p. 329 - 350
  • 7
  • [ 104-03-0 ]
  • [ 25026-34-0 ]
Reference: [1] Biochemische Zeitschrift, 1910, vol. 27, p. 102
  • 8
  • [ 25026-34-0 ]
  • [ 24091-92-7 ]
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  • 9
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  • [ 5468-97-3 ]
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