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MCULE-4717020531-0
Structure
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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 | 11 USD | 98 | 14 working days | Get Quote |
| 5 mg | 11 USD | 98 | 14 working days | Get Quote |
| 10 mg | 11 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4717020531-0.sdf |
| SMILES | MCULE-4717020531-0.smiles |
| Standard InChI | MCULE-4717020531-0.inchi |
| InChIKey | MCULE-4717020531-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867662529 | 95 | As is | in stock |
| P-875831617 | 95 | As is | in stock |
| P-869343568 | 95 | As is | by resynthesis (? - ? days) |
| P-903207261 | 98 | As is | 50 g |
| P-904315872 | 90 | As is | 124.82 g |
| P-1270350086 | 95 | As is | in stock |
| P-851939761 | N/A | As is | in stock |
| P-596998644 | 98 | As is | 8.4 g |
| P-895926051 | 95 | As is | by resynthesis (? - ? days) |
| P-864135485 | 95 | As is | in stock |
| P-674401251 | 95 | As is | 6.25 g |
| P-1272277973 | 95 | As is | by synthesis |
| P-862116519 | 98 | As is | 44.92 g |
| P-888313369 | N/A | As is | in stock |
| P-596565367 | 95 | As is | 100 mg |
| P-895896531 | 95 | As is | in stock |
| P-896082117 | N/A | As is | 1.995 g |
| P-906767416 | 98 | As is | by synthesis |
| P-906766719 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.288 |
| logP | 2.8752 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 90.62 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.299 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
