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MCULE-4968606488
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 | 25 USD | 95 | 10 working days | Get Quote |
| 5 mg | 25 USD | 95 | 10 working days | Get Quote |
| 10 mg | 25 USD | 95 | 10 working days | Get Quote |
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1
MCULE-2190848481
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4968606488.sdf |
| SMILES | MCULE-4968606488.smiles |
| Standard InChI | MCULE-4968606488.inchi |
| InChIKey | MCULE-4968606488.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1273455789 | 95 | As is | by resynthesis (? - ? days) |
| P-1275497939 | 95 | As is | 60 g |
| P-1273457106 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273471589 | 95 | Main component | by resynthesis (? - ? days) |
| P-580480375 | 97 | Main component | by synthesis |
| P-1274863732 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 397.826 |
| logP | 2.3489 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 75.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 108.7973 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 1 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
