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[ CAS No. 351003-49-1 ] {[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+
Chemical Structure| 351003-49-1
Chemical Structure| 351003-49-1
Structure of 351003-49-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 351003-49-1 ]

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Product Details of [ 351003-49-1 ]

CAS No. :351003-49-1 MDL No. :MFCD03094221
Formula : C6H3Cl2FO2S Boiling Point : -
Linear Structure Formula :- InChI Key :OZKAHSNNKADHTK-UHFFFAOYSA-N
M.W : 229.06 Pubchem ID :2778273
Synonyms :

Calculated chemistry of [ 351003-49-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.49
TPSA : 42.52 ?2

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) : -5.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.85
Log Po/w (XLOGP3) : 2.67
Log Po/w (WLOGP) : 3.91
Log Po/w (MLOGP) : 2.54
Log Po/w (SILICOS-IT) : 2.44
Consensus Log Po/w : 2.68

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.25
Solubility : 0.13 mg/ml ; 0.000567 mol/l
Class : Soluble
Log S (Ali) : -3.21
Solubility : 0.14 mg/ml ; 0.00061 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.84
Solubility : 0.033 mg/ml ; 0.000144 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 351003-49-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 351003-49-1 ]

* 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.

  • Downstream synthetic route of [ 351003-49-1 ]

[ 351003-49-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 351003-49-1 ]
  • 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester hydrochloride [ No CAS ]
  • [ 904679-64-7 ]
  • 2
  • [ 351003-49-1 ]
  • C18H30N4O [ No CAS ]
  • C24H32ClFN4O3S [ No CAS ]
  • 3
  • [ 351003-49-1 ]
  • [ 910606-15-4 ]
  • C25H32ClFN4O3S [ No CAS ]
  • 4
  • [ 351003-49-1 ]
  • [ 910605-32-2 ]
  • 5-chloro-N-cis-{4-[4-(2-cyclopropoxy-phenyl)-piperidin-1-yl]-cyclohexyl}-2-fluoro-benzenesulfonamide [ No CAS ]
  • 5-chloro-N-trans-{4-[4-(2-cyclopropoxy-phenyl)-piperidin-1-yl]-cyclohexyl}-2-fluoro-benzenesulfonamide [ No CAS ]
  • 5
  • [ 351003-49-1 ]
  • [ 946605-81-8 ]
  • 5-chloro-2-fluoro-N-cis-(4-{4-[2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidin-1-yl}-cyclohexyl)-benzenesulfonamide [ No CAS ]
  • 5-chloro-2-fluoro-N-trans-(4-{4-[2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidin-1-yl}-cyclohexyl)-benzenesulfonamide [ No CAS ]
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