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MCULE-5612109204-0
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 | 50 USD | 98 | 16 working days | Get Quote |
| 5 mg | 73 USD | 98 | 15 working days | Get Quote |
| 10 mg | 115 USD | 98 | 15 working days | Get Quote |
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1
MCULE-1717537428-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5612109204-0.sdf |
| SMILES | MCULE-5612109204-0.smiles |
| Standard InChI | MCULE-5612109204-0.inchi |
| InChIKey | MCULE-5612109204-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893617965 | 90 | As is | 876 mg |
| P-892413128 | 98 | As is | 1.022 g |
| P-1263260055 | 95 | As is | by synthesis |
| P-854715521 | 95 | As is | in stock |
| P-901916368 | 98 | Main component | by synthesis |
| P-900265345 | 95 | Main component | in stock |
| P-865621259 | 95 | Main component | in stock |
| P-871070307 | 95 | Main component | in stock |
| P-619672313 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 545.073 |
| logP | 5.8534 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 110.85 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 154.9278 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 33 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
