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MCULE-1121329054
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 | 125 USD | N/A | 17 working days | Get Quote |
| 5 mg | 125 USD | N/A | 17 working days | Get Quote |
| 10 mg | 125 USD | N/A | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-2794542853
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1121329054.sdf |
| SMILES | MCULE-1121329054.smiles |
| Standard InChI | MCULE-1121329054.inchi |
| InChIKey | MCULE-1121329054.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886673978 | 95 | As a main component | in stock |
| P-889976117 | N/A | As a main component | by synthesis |
| P-903239970 | 95 | As a main component | 5 g |
| P-851844997 | N/A | As a main component | by synthesis |
| P-889805039 | 95 | As a main component | by synthesis |
| P-611149357 | 95 | As a main component | by synthesis |
| P-901473302 | 95 | As a main component | by synthesis |
| P-854870949 | 95 | As a main component | by synthesis |
| P-855226866 | 90 | As a main component | in stock |
| P-893751045 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.273 |
| logP | 3.3497 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 59.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.6851 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Undefined stereo double bonds | 1 |
