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. : | 73590-93-9 | MDL No. : | MFCD11112031 |
Formula : | C8H11Cl2N | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KTCKCIHKYBTWLK-UHFFFAOYSA-N |
M.W : | 192.09 | Pubchem ID : | 21273334 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.38 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 50.9 |
TPSA : | 12.89 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.48 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.81 |
Log Po/w (WLOGP) : | 3.09 |
Log Po/w (MLOGP) : | 2.1 |
Log Po/w (SILICOS-IT) : | 3.21 |
Consensus Log Po/w : | 2.24 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.14 |
Solubility : | 0.14 mg/ml ; 0.000726 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.74 |
Solubility : | 0.351 mg/ml ; 0.00183 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.81 |
Solubility : | 0.0301 mg/ml ; 0.000157 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.79 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501 | UN#: | 3261 |
Hazard Statements: | H302-H314 | 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 |
---|---|---|
77% | Weigh the 2-amino-6-chloropurine 10mmol, anhydrous potassium carbonate 12mmol, measure 25mL DMSO into a 50mL round bottom flask, and raise the temperature in the oil bath to 48C.The reaction was stirred for 30 min; 11 mmol of 2-chloromethyl-3,5-dimethylpyridine hydrochloride was weighed and added to the above reaction solution in 3 portions at intervals of 30 min. After reaction at 48 C for 10 h, the temperature was set to 22 C and stirred for 2 h.After the reaction is completed, the reaction solution is suction-filtered, and the filtrate is retained; a mixed solution with a volume ratio of water:isopropanol = 1:1 is added to the filtrate, until the solution becomes turbid, and the solution is added dropwise. The solution is left in the refrigerator at rest overnight, and the filter is filtered. That is, the parent molecule BIIB021 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With sodium hydroxide In dichloromethane; lithium hydroxide monohydrate at 0℃; for 120h; |
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