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[ CAS No. 38377-38-7 ] {[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 38377-38-7
Chemical Structure| 38377-38-7
Chemical Structure| 38377-38-7
Structure of 38377-38-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 38377-38-7 ]

CAS No. :38377-38-7 MDL No. :MFCD00013257
Formula : C7H4ClFO2 Boiling Point : -
Linear Structure Formula :- InChI Key :MSBGPEACXKBQSX-UHFFFAOYSA-N
M.W : 174.56 Pubchem ID :2733256
Synonyms :

Calculated chemistry of [ 38377-38-7 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.28
TPSA : 26.3 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) : -5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.03
Log Po/w (XLOGP3) : 2.51
Log Po/w (WLOGP) : 2.98
Log Po/w (MLOGP) : 2.36
Log Po/w (SILICOS-IT) : 2.3
Consensus Log Po/w : 2.44

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.78
Solubility : 0.293 mg/ml ; 0.00168 mol/l
Class : Soluble
Log S (Ali) : -2.71
Solubility : 0.342 mg/ml ; 0.00196 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.98
Solubility : 0.184 mg/ml ; 0.00105 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.69

Safety of [ 38377-38-7 ]

Signal Word:Danger Class:6.1,8
Precautionary Statements:P261-P280-P305+P351+P338-P310 UN#:3277
Hazard Statements:H301-H311-H314-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 38377-38-7 ]

* 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 [ 38377-38-7 ]
  • Downstream synthetic route of [ 38377-38-7 ]

[ 38377-38-7 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 38377-38-7 ]
  • [ 13451-79-1 ]
Reference: [1] Organic Letters, 2018, vol. 20, # 16, p. 4838 - 4842
  • 2
  • [ 371-41-5 ]
  • [ 32315-10-9 ]
  • [ 38377-38-7 ]
Reference: [1] Chemistry - A European Journal, 2013, vol. 19, # 42, p. 14047 - 14051
[2] Organic Letters, 2018, vol. 20, # 16, p. 4838 - 4842
  • 3
  • [ 371-41-5 ]
  • [ 503-38-8 ]
  • [ 38377-38-7 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 8, p. 1716 - 1727
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