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[ CAS No. 2070902-77-9 ] {[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 2070902-77-9
Chemical Structure| 2070902-77-9
Chemical Structure| 2070902-77-9
Structure of 2070902-77-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2070902-77-9 ]

CAS No. :2070902-77-9 MDL No. :MFCD33023613
Formula : C7H4F4O3S Boiling Point : -
Linear Structure Formula :- InChI Key :CEDNKWXPIPAZQP-UHFFFAOYSA-N
M.W : 244.16 Pubchem ID :123131841
Synonyms :

Calculated chemistry of [ 2070902-77-9 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 7.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.77
TPSA : 51.75 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.83
Log Po/w (XLOGP3) : 2.52
Log Po/w (WLOGP) : 4.81
Log Po/w (MLOGP) : 2.36
Log Po/w (SILICOS-IT) : 1.75
Consensus Log Po/w : 2.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.223 mg/ml ; 0.000913 mol/l
Class : Soluble
Log S (Ali) : -3.25
Solubility : 0.136 mg/ml ; 0.000559 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.23
Solubility : 0.142 mg/ml ; 0.000582 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.39

Safety of [ 2070902-77-9 ]

Signal Word:Danger Class:6.1,8
Precautionary Statements:P233-P261-P262-P264-P270-P280-P301+P310-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P361-P362-P370+P378-P403+P235 UN#:2927
Hazard Statements:H227-H301-H311-H314-H332 Packing Group:
GHS Pictogram:
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