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MCULE-9595992222
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 | 98 USD | N/A | 14 working days | Get Quote |
| 5 mg | 98 USD | N/A | 14 working days | Get Quote |
| 10 mg | 130 USD | N/A | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9595992222.sdf |
| SMILES | MCULE-9595992222.smiles |
| Standard InChI | MCULE-9595992222.inchi |
| InChIKey | MCULE-9595992222.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867692236 | 98 | As is | in stock |
| P-875871917 | N/A | As is | in stock |
| P-874649684 | 99 | As is | in stock |
| P-903344954 | 99 | As is | 100 mg |
| P-889752259 | N/A | As is | in stock |
| P-895108370 | 99 | As is | 100 mg |
| P-889796163 | 95 | As is | by synthesis |
| P-1263260317 | 95 | As is | by synthesis |
| P-873245365 | 97 | As is | 5 mg |
| P-854712385 | 95 | As is | in stock |
| P-871071917 | 95 | As is | in stock |
| P-893670848 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 374.264 |
| logP | 4.5916 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 57.7 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 103.3797 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
