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MCULE-6945217324
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 | 16 USD | 95 | 20 working days | Get Quote |
| 5 mg | 16 USD | 95 | 20 working days | Get Quote |
| 10 mg | 16 USD | 95 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6945217324.sdf |
| SMILES | MCULE-6945217324.smiles |
| Standard InChI | MCULE-6945217324.inchi |
| InChIKey | MCULE-6945217324.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1265787468 | 95 | As is | in stock |
| P-617432528 | 95 | As is | 2.25 g |
| P-868602663 | 95 | As is | in stock |
| P-1267010147 | 95 | As is | in stock |
| P-886577419 | 95 | As an isomer | in stock |
| P-869206385 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-893466999 | 90 | As an isomer | 52.491 g |
| P-851954139 | N/A | As an isomer | in stock |
| P-1271921205 | 95 | As an isomer | 15 g |
| P-895919858 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864159099 | 95 | As an isomer | in stock |
| P-851337221 | 95 | As an isomer | by synthesis |
| P-855915536 | 95 | As an isomer | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 678.731 |
| logP | 5.6886 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 137.22 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 211.5614 |
| Atoms | 82 |
| Rings | 9 |
| Heavy atoms | 52 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 8 |
| Cis/trans stereo double bonds | 8 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
