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MCULE-5441714085
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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MCULE-4687157495
- Component type: Main
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MCULE-2594665916
- Component type: Main
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MCULE-3051865778
- Component type: Main
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MCULE-4352381612
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5441714085.sdf |
| SMILES | MCULE-5441714085.smiles |
| Standard InChI | MCULE-5441714085.inchi |
| InChIKey | MCULE-5441714085.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-617683226 | 95 | As is | 1.075 g |
| P-12310584 | 90 | As is | 1.075 g |
| P-579242877 | 90 | As is | in stock |
| P-454018717 | 90 | As is | 21 mg |
| P-903626763 | 94 | As is | by resynthesis (? - ? days) |
| P-24176068 | 92 | As a main component | 123 mg |
| P-617684430 | 90 | As a main component | 432 mg |
| P-26361556 | 90 | As a main component | 432 mg |
| P-13438656 | 92 | As a main component | 123 mg |
| P-617791923 | 90 | As a main component | 30 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 463.445 |
| logP | 5.6306 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 72.14 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 121.022 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 24 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| 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 |
