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UNKNOWN STEREO
MCULE-5745445517
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 | 146 USD | N/A | 14 working days | Get Quote |
| 5 mg | 338 USD | 95 | 16 working days | Get Quote |
| 10 mg | 605 USD | 95 | 16 working days | Get Quote |
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MCULE-1205758790
- Component type: Main
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MCULE-1151330622
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5745445517.sdf |
| SMILES | MCULE-5745445517.smiles |
| Standard InChI | MCULE-5745445517.inchi |
| InChIKey | MCULE-5745445517.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266106435 | 99 | As is | in stock |
| P-890158310 | 98 | As is | in stock |
| P-869261853 | 95 | As is | by resynthesis (? - ? days) |
| P-851906448 | N/A | As is | by synthesis |
| P-873295162 | 99 | As is | 10 mg |
| P-896055935 | 95 | As is | by synthesis |
| P-901508827 | 95 | As is | by synthesis |
| P-611501253 | 90 | As is | in stock |
| P-901181359 | N/A | As a main component | in stock |
| P-889797877 | 95 | As a main component | by synthesis |
| P-904965233 | 95 | As a main component | in stock |
| P-1273111004 | 95 | As a main component | 100 mg |
| P-1274344096 | 95 | As a main component | unavailable |
| P-1274355577 | 95 | As a main component | unavailable |
| P-1271683283 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 658.412 |
| logP | -0.4724 |
| H-bond acceptors | 22 |
| H-bond donors | 6 |
| Rotatable bonds | 2 |
| PSA | 329.3 |
| RO5 violations | 3 |
| RO3 violations | 4 |
| Refractivity | 140.463 |
| Atoms | 68 |
| Rings | 7 |
| Heavy atoms | 44 |
| Hydrogen atoms | 24 |
| Heteroatoms | 24 |
| N/O atoms | 22 |
| Inorganic atoms | 0 |
| 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 |
