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[ CAS No. 713-21-3 ] {[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+
Chemical Structure| 713-21-3
Chemical Structure| 713-21-3
Structure of 713-21-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 713-21-3 ]

CAS No. :713-21-3 MDL No. :MFCD08443561
Formula : C6H3ClFNO4S Boiling Point : -
Linear Structure Formula :- InChI Key :VQHGELUKJYOETQ-UHFFFAOYSA-N
M.W : 239.61 Pubchem ID :12904372
Synonyms :

Calculated chemistry of [ 713-21-3 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.31
TPSA : 88.34 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) : -6.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.19
Log Po/w (XLOGP3) : 1.87
Log Po/w (WLOGP) : 3.16
Log Po/w (MLOGP) : 0.86
Log Po/w (SILICOS-IT) : -0.28
Consensus Log Po/w : 1.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.69
Solubility : 0.491 mg/ml ; 0.00205 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.108 mg/ml ; 0.00045 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.6
Solubility : 0.595 mg/ml ; 0.00248 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 713-21-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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