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UNKNOWN STEREO
MCULE-2252489849-1
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 | 27 USD | 95 | 12 working days | Get Quote |
| 5 mg | 27 USD | 95 | 12 working days | Get Quote |
| 10 mg | 27 USD | 95 | 12 working days | Get Quote |
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1
MCULE-1703699091-3
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2252489849-1.sdf |
| SMILES | MCULE-2252489849-1.smiles |
| Standard InChI | MCULE-2252489849-1.inchi |
| InChIKey | MCULE-2252489849-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270367751 | 98 | As is | in stock |
| P-889791673 | 95 | As is | in stock |
| P-893243241 | 95 | As is | in stock |
| P-904252772 | 95 | As is | unavailable |
| P-904224007 | 95 | As is | 261 mg |
| P-904239905 | 95 | As is | 261 mg |
| P-1271664841 | 98 | As is | in stock |
| P-869241920 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 685.407 |
| logP | -0.858 |
| H-bond acceptors | 20 |
| H-bond donors | 6 |
| Rotatable bonds | 11 |
| PSA | 343.54 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 137.8895 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 45 |
| Hydrogen atoms | 26 |
| Heteroatoms | 24 |
| N/O atoms | 21 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
