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MCULE-4453498874
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 | 14 USD | 99 | 14 working days | Get Quote |
| 5 mg | 14 USD | 99 | 14 working days | Get Quote |
| 10 mg | 14 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-4453498874.sdf |
| SMILES | MCULE-4453498874.smiles |
| Standard InChI | MCULE-4453498874.inchi |
| InChIKey | MCULE-4453498874.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903041641 | 99 | As is | 300 g |
| P-893571639 | 90 | As is | 139.1 g |
| P-489164702 | 97 | As is | in stock |
| P-866724908 | 95 | As is | 38.98 g |
| P-674401273 | 99 | As is | 46 g |
| P-868644869 | 98 | As is | in stock |
| P-905327089 | 98 | As is | 2 g |
| P-861976988 | 98 | As is | 8.756 g |
| P-854717149 | 95 | As is | in stock |
| P-878647979 | 98 | As is | in stock |
| P-873282006 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 338.308 |
| logP | -0.7199 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 129.59 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.5952 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
