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MCULE-4987844102-1
Structure
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- InChIKey:
- SMILES:
- InChI:
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| 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 | 340 USD | 94 | 23 working days | Get Quote |
| 5 mg | 340 USD | 94 | 23 working days | Get Quote |
| 10 mg | 457 USD | 94 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4987844102-1.sdf |
| SMILES | MCULE-4987844102-1.smiles |
| Standard InChI | MCULE-4987844102-1.inchi |
| InChIKey | MCULE-4987844102-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502485409 | 95 | As a main component | by synthesis |
| P-502485497 | 95 | As a main component | by synthesis |
| P-502485510 | 95 | As a main component | by synthesis |
| P-502485618 | 95 | As a main component | by synthesis |
| P-502485743 | 95 | As a main component | by synthesis |
| P-675527640 | 90 | As a main component | by synthesis |
| P-675344272 | 90 | As a main component | in stock |
| P-675487981 | 95 | As a main component | in stock |
| P-851998447 | 96 | As a main component | in stock |
| P-907286763 | 94 | As a main component | by resynthesis (? - ? days) |
| P-907189980 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 136.195 |
| logP | -0.5038 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.1571 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
