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[ CAS No. 328-72-3 ] {[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 328-72-3
Chemical Structure| 328-72-3
Chemical Structure| 328-72-3
Structure of 328-72-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 328-72-3 ]

CAS No. :328-72-3 MDL No. :MFCD01861848
Formula : C8H3ClF6 Boiling Point : -
Linear Structure Formula :- InChI Key :OXMBWPJFVUPOFO-UHFFFAOYSA-N
M.W : 248.55 Pubchem ID :2769405
Synonyms :

Calculated chemistry of [ 328-72-3 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.46
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.34
Log Po/w (XLOGP3) : 4.88
Log Po/w (WLOGP) : 6.68
Log Po/w (MLOGP) : 4.94
Log Po/w (SILICOS-IT) : 4.56
Consensus Log Po/w : 4.68

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.62
Solubility : 0.00597 mg/ml ; 0.000024 mol/l
Class : Moderately soluble
Log S (Ali) : -4.62
Solubility : 0.00603 mg/ml ; 0.0000243 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.79
Solubility : 0.00401 mg/ml ; 0.0000161 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.57

Safety of [ 328-72-3 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235 UN#:1993
Hazard Statements:H315-H319-H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 328-72-3 ]

* 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 [ 328-72-3 ]
  • Downstream synthetic route of [ 328-72-3 ]

[ 328-72-3 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 402-31-3 ]
  • [ 328-72-3 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 1.2, p. 108 - 112[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 1, p. 125 - 129
[3] Journal of the American Chemical Society, 1948, vol. 70, p. 1317
[4] Journal of the American Chemical Society, 1949, vol. 71, p. 1490
[5] Patent: US4351975, 1982, A,
  • 2
  • [ 60047-42-9 ]
  • [ 328-72-3 ]
Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 1317
[2] Industrial and Engineering Chemistry, 1947, vol. 39, p. 389
  • 3
  • [ 121-91-5 ]
  • [ 328-72-3 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 1.2, p. 108 - 112[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 1, p. 125 - 129
  • 4
  • [ 881-99-2 ]
  • [ 328-72-3 ]
Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 1317
[2] Industrial and Engineering Chemistry, 1947, vol. 39, p. 389
  • 5
  • [ 328-72-3 ]
  • [ 124-41-4 ]
  • [ 349-60-0 ]
Reference: [1] Journal of the American Chemical Society, 1947, vol. 69, p. 946[2] Industrial and Engineering Chemistry, 1947, vol. 39, p. 421
  • 6
  • [ 328-72-3 ]
  • [ 27126-93-8 ]
Reference: [1] Patent: US2003/18209, 2003, A1,
[2] Patent: US6162942, 2000, A,
  • 7
  • [ 328-72-3 ]
  • [ 289686-70-0 ]
Reference: [1] Patent: CN105541593, 2016, A,
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