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MCULE-2691468939
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 working days | Get Quote |
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MCULE-5030365437
- Component type: Main
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MCULE-7046610009
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2691468939.sdf |
| SMILES | MCULE-2691468939.smiles |
| Standard InChI | MCULE-2691468939.inchi |
| InChIKey | MCULE-2691468939.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263349452 | 97 | As is | by synthesis |
| P-856089526 | 99 | As is | unavailable |
| P-903076433 | 98 | As a main component | 5 g |
| P-903182061 | 98 | As a main component | 10 mg |
| P-893300389 | N/A | As a main component | in stock |
| P-901920406 | 99 | As a main component | 142 mg |
| P-580710950 | 98 | As a main component | 1.7 g |
| P-591116139 | 95 | As a main component | by synthesis |
| P-881633776 | 98 | As a main component | in stock |
| P-861444754 | 95 | As a main component | by synthesis |
| P-579619486 | 99 | As a main component | 10 g |
| P-852467078 | N/A | As a main component | in stock |
| P-904065904 | 95 | As a main component | by synthesis |
| P-895185749 | 95 | As a main component | in stock |
| P-584618940 | 95 | As a main component | in stock |
| P-608277952 | 98 | As a main component | in stock |
| P-867408181 | N/A | As an isomer | by synthesis |
| P-613852616 | 98 | As an isomer | in stock |
| P-1264058831 | 95 | As an isomer | in stock |
| P-904771981 | N/A | As an isomer | by synthesis |
| P-851918988 | N/A | As an isomer | by synthesis |
| P-611128588 | 95 | As an isomer | by synthesis |
| P-611522120 | 90 | As an isomer | in stock |
| P-893761955 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.465 |
| logP | 4.6281 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 82.69 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.4294 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
