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. : | 596-27-0 | MDL No. : | MFCD00005912 |
Formula : | C22H18O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
M.W : | 346.38 | Pubchem ID : | 68995 |
Synonyms : |
|
Num. heavy atoms : | 26 |
Num. arom. heavy atoms : | 18 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 98.6 |
TPSA : | 66.76 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.18 cm/s |
Log Po/w (iLOGP) : | 2.74 |
Log Po/w (XLOGP3) : | 3.14 |
Log Po/w (WLOGP) : | 4.07 |
Log Po/w (MLOGP) : | 3.49 |
Log Po/w (SILICOS-IT) : | 4.87 |
Consensus Log Po/w : | 3.66 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.35 |
Solubility : | 0.0156 mg/ml ; 0.0000451 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.21 |
Solubility : | 0.0213 mg/ml ; 0.0000614 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -7.19 |
Solubility : | 0.0000225 mg/ml ; 0.0000000649 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.74 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | 2811 |
Hazard Statements: | H302-H312-H315-H319-H332-H335-H350 | 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.
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