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UNKNOWN STEREO
MCULE-1816556111
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 | 44 USD | 95 | 12 working days | Get Quote |
| 5 mg | 102 USD | 95 | 12 working days | Get Quote |
| 10 mg | 137 USD | 98 | 16 working days | Get Quote |
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MCULE-1786006628
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1816556111.sdf |
| SMILES | MCULE-1816556111.smiles |
| Standard InChI | MCULE-1816556111.inchi |
| InChIKey | MCULE-1816556111.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630409 | 98 | As is | in stock |
| P-875794326 | N/A | As is | in stock |
| P-869282681 | 95 | As is | by resynthesis (? - ? days) |
| P-1270394673 | 98 | As is | in stock |
| P-903000840 | N/A | As is | in stock |
| P-892190255 | N/A | As is | 200 mg |
| P-889522138 | 95 | As is | by synthesis |
| P-901452715 | 95 | As is | by synthesis |
| P-892288916 | 95 | As is | unavailable |
| P-869118738 | 95 | As is | 978 mg |
| P-888633764 | 95 | As is | 978 mg |
| P-1271682801 | 98 | As is | in stock |
| P-904245632 | 95 | As a main component | unavailable |
| P-869118739 | 95 | As a main component | 7 mg |
| P-888633765 | 95 | As a main component | 7 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 550.688 |
| logP | 3.4682 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 83.58 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 164.5087 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 42 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
