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MCULE-2017319269
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 | 50 USD | 98 | 22 working days | Get Quote |
| 5 mg | 79 USD | 98 | 22 working days | Get Quote |
| 10 mg | 115 USD | 98 | 22 working days | Get Quote |
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MCULE-6514201741
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2017319269.sdf |
| SMILES | MCULE-2017319269.smiles |
| Standard InChI | MCULE-2017319269.inchi |
| InChIKey | MCULE-2017319269.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489200139 | 97 | As is | in stock |
| P-590922724 | 98 | As is | by synthesis |
| P-887198328 | 95 | As is | by synthesis |
| P-608496540 | 95 | As is | in stock |
| P-854696524 | 95 | As is | by synthesis |
| P-871069268 | 95 | As is | in stock |
| P-906836490 | 98 | As is | by synthesis |
| P-619591346 | 98 | As a main component | by synthesis |
| P-889732179 | 95 | As a main component | by synthesis |
| P-863722480 | 95 | As a main component | in stock |
| P-871069269 | 95 | As a main component | in stock |
| P-888173709 | 98 | As a main component | by synthesis |
| P-610959296 | 90 | As an isomer | 5.275 g |
| P-851725700 | N/A | As an isomer | by synthesis |
| P-1274815692 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-885543482 | 95 | As an isomer | by synthesis |
| P-855052213 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 412.565 |
| logP | 4.9994 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 15.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 136.556 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 32 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
