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MCULE-2254898271
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 | 53 USD | 95 | 10 working days | Get Quote |
| 5 mg | 66 USD | 95 | 10 working days | Get Quote |
| 10 mg | 90 USD | 95 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2254898271.sdf |
| SMILES | MCULE-2254898271.smiles |
| Standard InChI | MCULE-2254898271.inchi |
| InChIKey | MCULE-2254898271.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852126980 | 95 | As is | by synthesis |
| P-890170007 | 95 | As is | in stock |
| P-894678794 | 95 | As is | by resynthesis (? - ? days) |
| P-851404384 | N/A | As is | by synthesis |
| P-611013306 | 95 | As is | by synthesis |
| P-454383377 | 95 | As is | 850 mg |
| P-18739093 | 95 | As is | 850 mg |
| P-854953688 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 315.339 |
| logP | 4.71218 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 40.86 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 90.2835 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
