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MCULE-1169872881
Compound
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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 | 68 USD | 95 | 14 working days | Get Quote |
| 5 mg | 68 USD | 95 | 14 working days | Get Quote |
| 10 mg | 68 USD | 95 | 14 working days | Get Quote |
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1
MCULE-5467166669
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1169872881.sdf |
| SMILES | MCULE-1169872881.smiles |
| Standard InChI | MCULE-1169872881.inchi |
| InChIKey | MCULE-1169872881.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274589211 | 95 | As is | by synthesis |
| P-903099792 | 98 | Main component | 300 mg |
| P-674398736 | 97 | Main component | by synthesis |
| P-905499151 | N/A | Main component | in stock |
| P-1267003249 | 95 | Main component | by synthesis |
| P-903154130 | 95 | Main component as a main component | 5 g |
| P-893416877 | 90 | Main component as a main component | by synthesis |
| P-893604637 | 90 | Main component as a main component | 2.2 g |
| P-1273229290 | 95 | Main component as a main component | 3.1 g |
| P-590842871 | 95 | Main component as a main component | by synthesis |
| P-1275104415 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-861441686 | 95 | Main component as a main component | by synthesis |
| P-887223531 | 95 | Main component as a main component | by synthesis |
| P-905412132 | 98 | Main component as a main component | 5 g |
| P-904060463 | 95 | Main component as a main component | by synthesis |
| P-906853127 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 388.383 |
| logP | 2.2662 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 13 |
| PSA | 181.76 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 86.3845 |
| Atoms | 53 |
| Rings | 0 |
| Heavy atoms | 26 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
