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UNKNOWN STEREO
MCULE-4769441408-0
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 | 50 USD | 98 | 20 working days | Get Quote |
| 5 mg | 50 USD | 98 | 20 working days | Get Quote |
| 10 mg | 51 USD | N/A | 9 working days | Get Quote |
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MCULE-2622817641-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4769441408-0.sdf |
| SMILES | MCULE-4769441408-0.smiles |
| Standard InChI | MCULE-4769441408-0.inchi |
| InChIKey | MCULE-4769441408-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867468318 | N/A | As is | by synthesis |
| P-613853291 | 95 | As is | in stock |
| P-851579058 | N/A | As is | by synthesis |
| P-864233592 | 98 | As is | by synthesis |
| P-901444457 | 95 | As is | by synthesis |
| P-855313247 | 90 | As is | in stock |
| P-875703758 | N/A | As a main component | in stock |
| P-851498874 | N/A | As a main component | by synthesis |
| P-619181559 | 98 | As a main component | 1.5 g |
| P-864145993 | 98 | As a main component | in stock |
| P-893220175 | 95 | As a main component | in stock |
| P-886918494 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 422.610 |
| logP | 0.8548 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 132.24 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.7639 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
