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MCULE-4431345717-0
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 working days | Get Quote |
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MCULE-5450450573-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4431345717-0.sdf |
| SMILES | MCULE-4431345717-0.smiles |
| Standard InChI | MCULE-4431345717-0.inchi |
| InChIKey | MCULE-4431345717-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566453 | 95 | As is | in stock |
| P-875725600 | N/A | As is | in stock |
| P-869190918 | 95 | As is | in stock |
| P-590373295 | 98 | As is | in stock |
| P-903054889 | 97 | As is | 1.5 kg |
| P-851932108 | N/A | As is | in stock |
| P-596929250 | 97 | As is | 5.5 kg |
| P-868617996 | 95 | As is | in stock |
| P-580307289 | 95 | As is | by resynthesis (? - ? days) |
| P-905349966 | 98 | As is | 75 g |
| P-855982983 | 97 | As is | 25 g |
| P-885541564 | 95 | As is | by synthesis |
| P-611421829 | 90 | As is | in stock |
| P-611412860 | 90 | As is | in stock |
| P-893993472 | 95 | As is | in stock |
| P-611664431 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.363 |
| logP | 3.9648 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 50.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.828 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 0 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
