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[ CAS No. 2138238-83-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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 2138238-83-0
Chemical Structure| 2138238-83-0
Chemical Structure| 2138238-83-0
Structure of 2138238-83-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2138238-83-0 ]

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Product Details of [ 2138238-83-0 ]

CAS No. :2138238-83-0 MDL No. :N/A
Formula : C6H6FNO4S Boiling Point : -
Linear Structure Formula :- InChI Key :LFCRHVWPXJOUDB-UHFFFAOYSA-N
M.W : 207.18 Pubchem ID :145913823
Synonyms :

Calculated chemistry of [ 2138238-83-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.17
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.99
TPSA : 84.75 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : 0.3
Log Po/w (WLOGP) : 1.88
Log Po/w (MLOGP) : -0.57
Log Po/w (SILICOS-IT) : -0.43
Consensus Log Po/w : 0.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.47
Solubility : 7.08 mg/ml ; 0.0342 mol/l
Class : Very soluble
Log S (Ali) : -1.64
Solubility : 4.72 mg/ml ; 0.0228 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.75
Solubility : 36.5 mg/ml ; 0.176 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.07

Safety of [ 2138238-83-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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