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MCULE-8855844149-3
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.
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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 | 16 USD | 90 | 18 working days | Get Quote |
| 5 mg | 16 USD | 90 | 18 working days | Get Quote |
| 10 mg | 16 USD | 90 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-3872208936-2
- Component type: Main
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MCULE-8112735068-2
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8855844149-3.sdf |
| SMILES | MCULE-8855844149-3.smiles |
| Standard InChI | MCULE-8855844149-3.inchi |
| InChIKey | MCULE-8855844149-3.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-899770719 | Specs | Screening Compounds | 90 | As is | 19.012 g |
| P-869188827 | AK Scientific | Building Blocks | 90 | As a main component | in stock |
| P-575539826 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-869277973 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-616235449 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 1 mg |
| P-608220814 | Glentham Life Sciences | Compounds maintained in stock | N/A | As a main component | in stock |
| P-870653350 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-31249973 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 442.548 |
| logP | 6.4235 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 63.83 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 134.6372 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 30 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
