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MCULE-4468745594
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 | 632 USD | 90 | 22 working days | Get Quote |
| 5 mg | 632 USD | 90 | 22 working days | Get Quote |
| 10 mg | 1134 USD | 95 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4468745594.sdf |
| SMILES | MCULE-4468745594.smiles |
| Standard InChI | MCULE-4468745594.inchi |
| InChIKey | MCULE-4468745594.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266282524 | 95 | As is | in stock |
| P-1265968384 | 95 | As is | in stock |
| P-907350319 | 90 | As is | 2.92 g |
| P-1263108144 | N/A | As is | by synthesis |
| P-1272039151 | 95 | As is | 800 mg |
| P-1273279446 | 95 | As is | by resynthesis (? - ? days) |
| P-905472799 | 95 | As is | in stock |
| P-905607873 | 95 | As is | by synthesis |
| P-1263253926 | 95 | As is | by synthesis |
| P-1264284613 | 95 | As is | 1.32 g |
| P-904074081 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.382 |
| logP | 2.1097 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 58.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 89.7904 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
