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MCULE-7539993545-0
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 | 31 USD | 97 | 20 working days | Get Quote |
| 5 mg | 31 USD | 97 | 20 working days | Get Quote |
| 10 mg | 31 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-7539993545-0.sdf |
| SMILES | MCULE-7539993545-0.smiles |
| Standard InChI | MCULE-7539993545-0.inchi |
| InChIKey | MCULE-7539993545-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590413229 | 95 | As is | by resynthesis (? - ? days) |
| P-1270395677 | 97 | As is | in stock |
| P-867716769 | N/A | As is | in stock |
| P-851488931 | N/A | As is | by synthesis |
| P-596986735 | 97 | As is | 10 g |
| P-1274834629 | 95 | As is | by resynthesis (? - ? days) |
| P-864176275 | 98 | As is | in stock |
| P-580444448 | 95 | As is | by resynthesis (? - ? days) |
| P-596571348 | 97 | As is | 5 g |
| P-643324368 | 90 | As is | by synthesis |
| P-888881305 | N/A | As is | in stock |
| P-500386240 | 98 | As is | by synthesis |
| P-885545704 | 95 | As is | by synthesis |
| P-869124912 | 95 | As is | unavailable |
| P-888638595 | 95 | As is | unavailable |
| P-611361272 | 90 | As is | in stock |
| P-615402666 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.291 |
| logP | 4.4052 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 77.113 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
