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UNKNOWN STEREO
MCULE-4419881089
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 24 USD | 98 | 22 working days | Get Quote |
| 10 mg | 24 USD | 98 | 22 working days | Get Quote |
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1
MCULE-1794271100
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4419881089.sdf |
| SMILES | MCULE-4419881089.smiles |
| Standard InChI | MCULE-4419881089.inchi |
| InChIKey | MCULE-4419881089.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867657662 | 98 | As is | in stock |
| P-1275177055 | 98 | As is | in stock |
| P-1275181406 | 99 | As is | in stock |
| P-1275159533 | 95 | As is | in stock |
| P-580194394 | 98 | As is | in stock |
| P-1270301733 | 98 | As is | in stock |
| P-606868814 | N/A | As is | in stock |
| P-596971494 | 98 | As is | 10 g |
| P-864146495 | 98 | As is | in stock |
| P-893218910 | 95 | As is | in stock |
| P-505494874 | 95 | As is | in stock |
| P-869107615 | 95 | As is | 295 mg |
| P-892286227 | 95 | As is | 345 mg |
| P-888626651 | 95 | As is | 345 mg |
| P-611352781 | 90 | As is | in stock |
| P-1271667234 | 98 | As is | in stock |
| P-851879857 | N/A | Main component | by synthesis |
| P-905468508 | 95 | Main component | in stock |
| P-893225401 | 95 | Main component | in stock |
| P-892290567 | 95 | Main component | unavailable |
| P-869124966 | 95 | Main component | 105 mg |
| P-888638639 | 95 | Main component | 105 mg |
| P-875825735 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 459.960 |
| logP | 4.7541 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 87.07 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 129.4376 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
