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UNKNOWN STEREO
MCULE-4126509532-0
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 | 157 USD | 95 | 12 working days | Get Quote |
| 5 mg | 376 USD | 95 | 12 working days | Get Quote |
| 10 mg | 536 USD | 95 | 12 working days | Get Quote |
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1
MCULE-3249523070-1
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4126509532-0.sdf |
| SMILES | MCULE-4126509532-0.smiles |
| Standard InChI | MCULE-4126509532-0.inchi |
| InChIKey | MCULE-4126509532-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892301924 | 95 | As is | unavailable |
| P-869173020 | 95 | As is | 676 mg |
| P-888664154 | 95 | As is | 676 mg |
| P-867612133 | 97 | Main component | in stock |
| P-875772012 | 97 | Main component | in stock |
| P-893265893 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 3185.638 |
| logP | 1.2065 |
| H-bond acceptors | 84 |
| H-bond donors | 48 |
| Rotatable bonds | 133 |
| PSA | 1376.46 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 809.9935 |
| Atoms | 459 |
| Rings | 4 |
| Heavy atoms | 225 |
| Hydrogen atoms | 234 |
| Heteroatoms | 84 |
| N/O atoms | 84 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 28 |
| R/S chiral centers | 28 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
