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[ CAS No. 193149-74-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 193149-74-5
Chemical Structure| 193149-74-5
Structure of 193149-74-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 193149-74-5 ]

CAS No. :193149-74-5 MDL No. :MFCD09264687
Formula : C20H13N6NaO11S2 Boiling Point : -
Linear Structure Formula :- InChI Key :VSIVTUIKYVGDCX-UHFFFAOYSA-M
M.W : 600.47 Pubchem ID :9894947
Synonyms :
Water-Soluble Tetrazolium 8
Chemical Name :2-(3-(2-Methoxy-4-nitrophenyl)-2-(4-nitrophenyl)-2H-tetrazol-3-ium-5-yl)-5-sulfobenzenesulfonate, sodium salt

Calculated chemistry of [ 193149-74-5 ]

Physicochemical Properties

Num. heavy atoms : 40
Num. arom. heavy atoms : 23
Fraction Csp3 : 0.05
Num. rotatable bonds : 8
Num. H-bond acceptors : 13.0
Num. H-bond donors : 0.0
Molar Refractivity : 130.61
TPSA : 266.62 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : -15.06
Log Po/w (XLOGP3) : 3.49
Log Po/w (WLOGP) : 3.01
Log Po/w (MLOGP) : 1.73
Log Po/w (SILICOS-IT) : -4.91
Consensus Log Po/w : -2.35

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -5.66
Solubility : 0.00132 mg/ml ; 0.00000219 mol/l
Class : Moderately soluble
Log S (Ali) : -8.77
Solubility : 0.00000102 mg/ml ; 0.0000000017 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -3.71
Solubility : 0.118 mg/ml ; 0.000196 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.79

Safety of [ 193149-74-5 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H228-H315-H319 Packing Group:
GHS Pictogram:
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