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. : | 139743-08-1 | MDL No. : | MFCD09880172 |
Formula : | C7H8N2O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KFDXMUKYIMSGDC-UHFFFAOYSA-N |
M.W : | 168.15 | Pubchem ID : | 10797172 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 45.8 |
TPSA : | 92.07 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) : | -6.8 cm/s |
Log Po/w (iLOGP) : | 0.93 |
Log Po/w (XLOGP3) : | 0.74 |
Log Po/w (WLOGP) : | 0.53 |
Log Po/w (MLOGP) : | -0.22 |
Log Po/w (SILICOS-IT) : | -1.19 |
Consensus Log Po/w : | 0.16 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.59 |
Solubility : | 4.35 mg/ml ; 0.0259 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.25 |
Solubility : | 0.94 mg/ml ; 0.00559 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.24 |
Solubility : | 9.61 mg/ml ; 0.0571 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 3.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.78 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 | UN#: | 3077 |
Hazard Statements: | H302-H319-H372-H410 | 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 |
---|---|---|
78% | With manganese(IV) oxide In Dichlorodifluoromethane at 20℃; for 23 h; Inert atmosphere | 5.1.142 6,7-Didehydro-17-methyl-8'-nitroquinolino[2',3':6,7]morphinan-3,14β-diol hydrochloride (SYK-349) SYK-349 was prepared from compound 29d according to the procedure used to prepare SYK-27. Yield, 98percent; a brown amorphous solid. Mp 255-262 °C (dec). Anal. Calcd for C24H23N3O4·1.5HCl·0.5H2O: C, 59.91; H, 5.34; N, 8.73. Found: C, 60.10; H, 5.42; N, 8.46. |
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