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MCULE-4940662078-0
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 | 100 USD | 95 | 14 working days | Get Quote |
| 5 mg | 100 USD | 95 | 14 working days | Get Quote |
| 10 mg | 100 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4940662078-0.sdf |
| SMILES | MCULE-4940662078-0.smiles |
| Standard InChI | MCULE-4940662078-0.inchi |
| InChIKey | MCULE-4940662078-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886673523 | 95 | As is | in stock |
| P-889975825 | N/A | As is | by synthesis |
| P-869324752 | 95 | As is | in stock |
| P-903239647 | 95 | As is | 5 g |
| P-893600391 | 90 | As is | 71.2 g |
| P-580223464 | 95 | As is | by synthesis |
| P-851425401 | N/A | As is | by synthesis |
| P-905463733 | 95 | As is | in stock |
| P-611012423 | 95 | As is | by synthesis |
| P-901534143 | 95 | As is | by synthesis |
| P-861456361 | 95 | As is | by synthesis |
| P-1264364067 | 97 | As is | 412.05 g |
| P-889315159 | 97 | As is | 412.05 g |
| P-852568270 | N/A | As is | in stock |
| P-895224013 | 95 | As is | in stock |
| P-906805068 | 95 | As is | by synthesis |
| P-611419764 | 90 | As is | in stock |
| P-893776193 | 95 | As is | by synthesis |
| P-893758669 | 95 | As is | by synthesis |
| P-893734889 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.198 |
| logP | 3.2836 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.6028 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
