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MCULE-9998814061
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.
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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 | 47 USD | 98 | 16 working days | Get Quote |
| 5 mg | 47 USD | 98 | 16 working days | Get Quote |
| 10 mg | 61 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-1407362155
- Component type: Main
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MCULE-4586787696
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9998814061.sdf |
| SMILES | MCULE-9998814061.smiles |
| Standard InChI | MCULE-9998814061.inchi |
| InChIKey | MCULE-9998814061.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-591062887 | 95 | As is | by synthesis |
| P-616197881 | 98 | As a main component | by synthesis |
| P-901589688 | 95 | As a main component | by synthesis |
| P-861439001 | 95 | As a main component | by synthesis |
| P-856078752 | 98 | As a main component | 5 g |
| P-895514148 | 95 | As a main component | by synthesis |
| P-619670718 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 482.168 |
| logP | -1.1633 |
| H-bond acceptors | 16 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 273.57 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 90.8042 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 17 |
| Heteroatoms | 19 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
