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. : | 6077-72-1 | MDL No. : | MFCD00009683 |
Formula : | C5H10O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SHEINYPABNPRPM-UHFFFAOYSA-N |
M.W : | 86.13 | Pubchem ID : | 138655 |
Synonyms : |
|
Num. heavy atoms : | 6 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 25.2 |
TPSA : | 20.23 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) : | -6.31 cm/s |
Log Po/w (iLOGP) : | 1.65 |
Log Po/w (XLOGP3) : | 0.72 |
Log Po/w (WLOGP) : | 0.63 |
Log Po/w (MLOGP) : | 0.76 |
Log Po/w (SILICOS-IT) : | 0.92 |
Consensus Log Po/w : | 0.94 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.76 |
Solubility : | 14.9 mg/ml ; 0.173 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.72 |
Solubility : | 16.3 mg/ml ; 0.189 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.36 |
Solubility : | 37.6 mg/ml ; 0.437 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.52 |
Signal Word: | Danger | Class: | 3 |
Precautionary Statements: | P210-P403+P235 | UN#: | 1987 |
Hazard Statements: | H225 | 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 |
---|---|---|
With lithium aluminium tetrahydride In diethyl ether for 1h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 2-methylcyclopropanemethanol With sodium hydride In tetrahydrofuran; mineral oil for 1h; Stage #2: 4-chloro-6-(imidazol-1-yl)pyrimidine In tetrahydrofuran; mineral oil at 20℃; for 24h; | 2 To a mixture of 0.26 g of. 2-methylcyclopropylmethanol and 10 mL of tetrahydrofuran was added 0.12 g of 60 % sodium hydride (in oil), and the mixture was stirred for 1 hour. To the/reaction mixture was added 0.5 g of 4-chloro- 6-imidazolylpyrimidine , and the mixture was stirred for 1 day at room temperature. Water was poured into the reaction mixture, and the mixture was extracted with ethyl acetate. The organic layer was dried over magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel chromatography to obtain 0.34 g of Compound 3: |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.64 g | With azodicarboxylic acid bis(2-methoxyethyl) ester; triphenylphosphine; In toluene; at 0 - 80℃; for 4h; | 2.55 g of Bis(2-methoxyethyl) azodicarboxylate was added to a mixture of 1.40 g of <strong>[3139-05-7]2,5-dimethyl-4-nitrophenol</strong>, 0.72 g of (2-methylcyclopropyl)methanol, 2.64 g of triphenylphosphine and 100 mL of toluene at 0 C., and the mixture was stirred at 80 C. for 4 hours. After cooling, a saturated aqueous sodium bicarbonate solution was added, and the mixture was extracted with ethyl acetate, and then the organic layer was washed with water and saturated salt water and dried over anhydrous magnesium sulfate. The resulting residue was subjected to silica gel column chromatography to obtain 1.64 g of 2,5-dimethyl-1-[(2-methylcyclopropyl)methoxy]-4-nitrobenzen e. (0196) 1H-NMR (CDCl3) delta: 7.93 (1H, s), 6.60 (1H, s), 3.89 (2H, d, J=6.8 Hz), 2.61 (3H, s), 2.24 (3H, s), 1.11 (3H, d, J=6.0 Hz), 1.03-0.94 (1H, m), 0.84-0.74 (1H, m), 0.57-0.51 (1H, m), 0.44-0.38 (1H, m). |