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MCULE-2185126998-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 10 USD | 98 | 8 working days | Get Quote |
| 5 mg | 10 USD | 98 | 8 working days | Get Quote |
| 10 mg | 10 USD | 98 | 8 working days | Get Quote |
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1
MCULE-7450470373-0
- Component type: Main
-
1
MCULE-5396813937-0
- Component type: Counter Ion
-
1
MCULE-5889111640-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2185126998-0.sdf |
| SMILES | MCULE-2185126998-0.smiles |
| Standard InChI | MCULE-2185126998-0.inchi |
| InChIKey | MCULE-2185126998-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903130854 | 99 | As is | 300 g |
| P-903217419 | 98 | Main component | 500 g |
| P-895955820 | 95 | Main component | 236 g |
| P-580701306 | 98 | Main component | 632 g |
| P-900268371 | N/A | Main component | by resynthesis (? - ? days) |
| P-452661221 | 98 | Main component | in stock |
| P-868563698 | 97 | Main component | in stock |
| P-868611463 | 95 | Main component | in stock |
| P-889114901 | 98 | Main component | 6.377 kg |
| P-905476330 | 67 | Main component | unavailable |
| P-579616766 | 95 | Main component | 5 kg |
| P-852466310 | N/A | Main component | in stock |
| P-904639955 | 95 | Main component | in stock |
| P-854691256 | 95 | Main component | in stock |
| P-874452643 | 95 | Main component | in stock |
| P-608276112 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 586.855 |
| logP | 6.1066 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 15 |
| PSA | 109.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.272 |
| Atoms | 94 |
| Rings | 2 |
| Heavy atoms | 40 |
| Hydrogen atoms | 54 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
