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MCULE-2008068749-0
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.
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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.
|
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|---|---|---|---|---|
| 1 mg | 79 USD | 90 | 22 working days | Get Quote |
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1
MCULE-7152941422-0
- Component type: Main
-
1
MCULE-1176533515-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2008068749-0.sdf |
| SMILES | MCULE-2008068749-0.smiles |
| Standard InChI | MCULE-2008068749-0.inchi |
| InChIKey | MCULE-2008068749-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-666898899 | 90 | As is | 1 mg |
| P-33307674 | 90 | As is | in stock |
| P-870653279 | N/A | Main component as a main component | in stock |
| P-675337094 | 95 | Main component as a main component | by synthesis |
| P-33421871 | 90 | Main component as a main component | in stock |
| P-906858292 | 97 | Main component as a main component | by synthesis |
| P-906838259 | 97 | Main component as a main component | by synthesis |
| P-906858326 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 510.697 |
| logP | 6.3346 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 130.87 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 143.1214 |
| Atoms | 60 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
