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. : | 104845-83-2 | MDL No. : | MFCD15832858 |
Formula : | C2H10Cl2N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XNYYURKIRXGDPZ-UHFFFAOYSA-N |
M.W : | 165.02 | Pubchem ID : | 91667277 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 33.24 |
TPSA : | 70.5 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) : | -7.28 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.04 |
Log Po/w (WLOGP) : | 0.37 |
Log Po/w (MLOGP) : | -0.29 |
Log Po/w (SILICOS-IT) : | -1.46 |
Consensus Log Po/w : | -0.27 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.69 |
Solubility : | 33.7 mg/ml ; 0.204 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.07 |
Solubility : | 13.9 mg/ml ; 0.0845 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 0.64 |
Solubility : | 722.0 mg/ml ; 4.38 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.59 |
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: | H315-H319-H228 | Packing Group: | Ⅱ |
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 |
---|---|---|
With sodium carbonate; In N,N-dimethyl-formamide; at 20℃; | (ii) Preparation of 1,2-bis-[4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]-ethoxy]benzalde]-O-ethyl oxime 61A suspension containing 1,2-diaminooxyethane bis hydrochloride (8 mg, 0.05 mmol), prepared according to the literature J. Org. Chem. (1984) 49 4487 Tetrahedron Lett. (1984) 25 2093, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]-ethoxy]benzalde (32 mg, 0.1 mmol) and sodium carbonate (26 mg, 0.25 mmol) in DMF (1 ml) was stirred at room temperature overnight. The reaction was filtered and adsorbed onto silica (1 g) then chromatography on silica gel (4 g) ethyl acetate/hexane gave 1,2-bis[4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]-ethoxy]benzalde]-O-ethyl oxime 61. |
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