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UNKNOWN STEREO
MCULE-3728508727
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 32 USD | 95 | 7 working days | Get Quote |
| 10 mg | 52 USD | 95 | 7 working days | Get Quote |
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MCULE-8230083861
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3728508727.sdf |
| SMILES | MCULE-3728508727.smiles |
| Standard InChI | MCULE-3728508727.inchi |
| InChIKey | MCULE-3728508727.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867614661 | N/A | As a main component | in stock |
| P-875775692 | N/A | As a main component | in stock |
| P-579762393 | 98 | As a main component | by resynthesis (? - ? days) |
| P-1270338035 | 99 | As a main component | in stock |
| P-851929918 | N/A | As a main component | in stock |
| P-865915294 | 99 | As a main component | 5 g |
| P-864208760 | 95 | As a main component | in stock |
| P-893236208 | 95 | As a main component | in stock |
| P-502589268 | 95 | As a main component | by synthesis |
| P-869111900 | 95 | As a main component | 14 mg |
| P-892287931 | 95 | As a main component | 407 mg |
| P-888629684 | 95 | As a main component | 407 mg |
| P-1271703407 | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.544 |
| logP | 4.4515 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 12 |
| PSA | 148.62 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 131.2056 |
| Atoms | 63 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
