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[ CAS No. 146997-97-9 ] {[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 146997-97-9
Chemical Structure| 146997-97-9
Chemical Structure| 146997-97-9
Structure of 146997-97-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 146997-97-9 ]

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Product Details of [ 146997-97-9 ]

CAS No. :146997-97-9 MDL No. :MFCD07375472
Formula : C5H9N3O4S Boiling Point : -
Linear Structure Formula :- InChI Key :OSWQRJFRLQAWTI-UHFFFAOYSA-N
M.W : 207.21 Pubchem ID :44558316
Synonyms :

Calculated chemistry of [ 146997-97-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 47.27
TPSA : 147.91 Ų

Pharmacokinetics

GI absorption : Low
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) : -8.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.68
Log Po/w (XLOGP3) : -1.22
Log Po/w (WLOGP) : 0.69
Log Po/w (MLOGP) : -1.48
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : -0.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.7
Solubility : 41.6 mg/ml ; 0.201 mol/l
Class : Very soluble
Log S (Ali) : -1.39
Solubility : 8.42 mg/ml ; 0.0406 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.24
Solubility : 11.9 mg/ml ; 0.0573 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.98

Safety of [ 146997-97-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:
GHS Pictogram:
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