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UNKNOWN STEREO
MCULE-3198494597
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 | 82 USD | 98 | 22 working days | Get Quote |
| 5 mg | 109 USD | 98 | 20 working days | Get Quote |
| 10 mg | 109 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-9661587000
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3198494597.sdf |
| SMILES | MCULE-3198494597.smiles |
| Standard InChI | MCULE-3198494597.inchi |
| InChIKey | MCULE-3198494597.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679772 | 95 | As is | in stock |
| P-875857764 | N/A | As is | in stock |
| P-894615068 | 95 | As is | in stock |
| P-875891821 | 98 | As is | 10 mg |
| P-889795039 | 98 | As is | by synthesis |
| P-869117027 | 95 | As is | by synthesis |
| P-892288475 | 95 | As is | unavailable |
| P-888632406 | 95 | As is | 132 mg |
| P-867617834 | 98 | As a main component | in stock |
| P-875779046 | N/A | As a main component | in stock |
| P-894645872 | 98 | As a main component | in stock |
| P-895097499 | 98 | As a main component | 10 g |
| P-889500464 | 98 | As a main component | by synthesis |
| P-901457320 | 95 | As a main component | by synthesis |
| P-869117028 | 95 | As a main component | by synthesis |
| P-892288476 | 95 | As a main component | unavailable |
| P-888632407 | 95 | As a main component | 100 mg |
| P-868508306 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 458.634 |
| logP | 6.2427 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 44.73 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 142.5657 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 38 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
