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[ CAS No. 518070-29-6 ] {[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 518070-29-6
Chemical Structure| 518070-29-6
Chemical Structure| 518070-29-6
Structure of 518070-29-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 518070-29-6 ]

CAS No. :518070-29-6 MDL No. :MFCD03094330
Formula : C7H6ClFO2S Boiling Point : -
Linear Structure Formula :- InChI Key :SDBFDPOFXLVGQF-UHFFFAOYSA-N
M.W : 208.64 Pubchem ID :2778482
Synonyms :

Calculated chemistry of [ 518070-29-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.45
TPSA : 42.52 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) : -5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.86
Log Po/w (XLOGP3) : 2.41
Log Po/w (WLOGP) : 3.56
Log Po/w (MLOGP) : 2.28
Log Po/w (SILICOS-IT) : 2.2
Consensus Log Po/w : 2.46

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.96
Solubility : 0.231 mg/ml ; 0.00111 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.237 mg/ml ; 0.00114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.61
Solubility : 0.0511 mg/ml ; 0.000245 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 518070-29-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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