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. : | 10416-59-8 | MDL No. : | MFCD00008270 |
Formula : | C8H21NOSi2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 203.43 | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.88 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 61.08 |
TPSA : | 21.59 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) : | -5.24 cm/s |
Log Po/w (iLOGP) : | 3.33 |
Log Po/w (XLOGP3) : | 3.24 |
Log Po/w (WLOGP) : | 3.09 |
Log Po/w (MLOGP) : | 1.96 |
Log Po/w (SILICOS-IT) : | -0.53 |
Consensus Log Po/w : | 2.22 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.94 |
Solubility : | 0.231 mg/ml ; 0.00114 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.37 |
Solubility : | 0.0874 mg/ml ; 0.00043 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.64 |
Solubility : | 0.468 mg/ml ; 0.0023 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 3.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 4.64 |
Signal Word: | Danger | Class: | 8,3 |
Precautionary Statements: | P210-P233-P240-P241-P242-P243-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P370+P378-P403+P235-P405-P501 | UN#: | 2920 |
Hazard Statements: | H226-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 |
---|---|---|
60% | Stage #1: With N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - -5℃; for 1 h; Stage #2: With titanium tetrachloride In dichloromethane at -30℃; for 20 h; |
Comparative example: Condensation reaction of the compounds of formula (V) and (VI) of document WO 00/34240 Al.; DIPEA (2.56 ml, 14.7 mmol) and TMSCI (1.17 ml, 9.24 mmol) were added dropwise to a solution of V (1 g, 2.8 mmol) and VI (1.2 g, 5.29 mmol) in anhydrous CH2C12 (16 ml) at -10°C, maintaining the temperature below -5°C. Once the protection was completed(l hour), the temperature was reduced to -30°C, TiCl4 (0.34 ml, 3.08 mmol) was added dropwise and stirring was maintained at -30°C for 20 hours. (Starting product was observed after 4 hours by thin layer chromatography) . The 1H-NMR of the obtained crude reaction product shows a 2.6:1 mixture of stereoisomers .Glacial acetic acid (0.8 ml) was added after this time elapsed. The obtained mixture was stirred for 30 minutes, allowing the temperature to increase, was poured onto tartaric acid 7percent (14 ml) at 0°C and stirred for 1 hour, allowing the temperature to increase. 20percent NaHS03 (5 ml) was then added and it was stirred for another hour. The organic phase was separated, washed with H20 (15 ml), dried with MgS04, filtered and concentrated to an approximate volume of 10 ml. The obtained solution was treated with bistrimethylsilyl acetamide (0.82 ml, 3.36 mmol) under reflux for 30 minutes and evaporated to dryness .The main stereoisomer was purified by crystallization inAcOEt:heptane (6:4), yielding VII (1.21 g, 60percent) . |