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MCULE-5128084136
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 | 13 USD | 98 | 15 working days | Get Quote |
| 5 mg | 35 USD | 98 | 15 working days | Get Quote |
| 10 mg | 67 USD | 98 | 15 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5128084136.sdf |
| SMILES | MCULE-5128084136.smiles |
| Standard InChI | MCULE-5128084136.inchi |
| InChIKey | MCULE-5128084136.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903302601 | 98 | As is | 3 g |
| P-1264051376 | 99 | As is | in stock |
| P-893584698 | 90 | As is | 26.139 g |
| P-907575154 | 98 | As is | in stock |
| P-580732195 | 98 | As is | 2.383 g |
| P-851314818 | 95 | As is | by synthesis |
| P-861367989 | 95 | As is | by synthesis |
| P-579481568 | 95 | As is | in stock |
| P-904640765 | 95 | As is | by synthesis |
| P-854713815 | 95 | As is | in stock |
| P-584619832 | 95 | As is | in stock |
| P-617404348 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.498 |
| logP | 2.0634 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 88.18 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 131.4852 |
| Atoms | 60 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 27 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
