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MCULE-1663030521
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 | 276 USD | N/A | 27 working days | Get Quote |
| 5 mg | 276 USD | N/A | 27 working days | Get Quote |
| 10 mg | 276 USD | N/A | 27 working days | Get Quote |
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1
MCULE-2888696924
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1663030521.sdf |
| SMILES | MCULE-1663030521.smiles |
| Standard InChI | MCULE-1663030521.inchi |
| InChIKey | MCULE-1663030521.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-871071638 | 95 | As is | in stock |
| P-893609513 | 90 | Main component | 1.682 g |
| P-900267377 | N/A | Main component | by resynthesis (? - ? days) |
| P-851268071 | 95 | Main component | by synthesis |
| P-900266690 | 95 | Main component | in stock |
| P-1275000330 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1084.230 |
| logP | 3.6981 |
| H-bond acceptors | 26 |
| H-bond donors | 15 |
| Rotatable bonds | 20 |
| PSA | 419.56 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 309.105 |
| Atoms | 151 |
| Rings | 5 |
| Heavy atoms | 78 |
| Hydrogen atoms | 73 |
| Heteroatoms | 26 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
