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+ |
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CAS No. : | 2552-55-8 | MDL No. : | MFCD00069294 |
Formula : | C5H6N2O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | IRJCBFDCFXCWGO-UHFFFAOYSA-N |
M.W : | 158.11 | Pubchem ID : | 1233 |
Synonyms : |
DL-Ibotenic acid;NSC 204850;Ibotenate;(RS)-Ibotenic acid
|
Chemical Name : | 2-Amino-2-(3-oxo-2,3-dihydroisoxazol-5-yl)acetic acid |
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 33.58 |
TPSA : | 109.32 Ų |
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) : | -10.03 cm/s |
Log Po/w (iLOGP) : | 0.25 |
Log Po/w (XLOGP3) : | -3.9 |
Log Po/w (WLOGP) : | -1.27 |
Log Po/w (MLOGP) : | -3.8 |
Log Po/w (SILICOS-IT) : | -0.28 |
Consensus Log Po/w : | -1.8 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.43 |
Solubility : | 4280.0 mg/ml ; 27.1 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 2.2 |
Solubility : | 25100.0 mg/ml ; 159.0 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | -0.2 |
Solubility : | 101.0 mg/ml ; 0.637 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.86 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P301+P310 | UN#: | 2811 |
Hazard Statements: | H301 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Hydrierung an Pd/C (alkalisch) -> 2,5-Dicarbamoylmethyl-pyrazin; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
α-Bromverb.,NH4OH; |