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MCULE-2182366689-0
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2182366689-0.sdf |
| SMILES | MCULE-2182366689-0.smiles |
| Standard InChI | MCULE-2182366689-0.inchi |
| InChIKey | MCULE-2182366689-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903054080 | 99 | As is | 200 g |
| P-893598369 | 90 | As is | 327.94 g |
| P-489108324 | 97 | As is | in stock |
| P-900155110 | 98 | As is | in stock |
| P-505572717 | 98 | As is | in stock |
| P-851278446 | 95 | As is | by synthesis |
| P-500243353 | N/A | As is | in stock |
| P-895187198 | 95 | As is | in stock |
| P-854718793 | 95 | As is | in stock |
| P-474024918 | 95 | As is | in stock |
| P-608277217 | 98 | As is | in stock |
| P-1263956340 | 90 | As is | in stock |
| P-579711104 | N/A | As is | in stock |
| P-454364671 | 92 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 429.592 |
| logP | 5.4065 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 40.54 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 131.6528 |
| Atoms | 67 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 35 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
