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MCULE-1116317712
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 55 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1116317712.sdf |
| SMILES | MCULE-1116317712.smiles |
| Standard InChI | MCULE-1116317712.inchi |
| InChIKey | MCULE-1116317712.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886073711 | N/A | As is | by synthesis |
| P-1265186150 | 90 | As is | by synthesis |
| P-6204687 | 90 | As is | 25 mg |
| P-4352349 | 90 | As is | 28 mg |
| P-516882583 | 90 | As is | in stock |
| P-502969276 | 90 | As is | in stock |
| P-14413779 | 90 | As is | 77 mg |
| P-26437449 | 90 | As is | 10 mg |
| P-19192841 | 90 | As is | in stock |
| P-12665140 | 90 | As is | 288 mg |
| P-33529667 | 94 | As is | by resynthesis (? - ? days) |
| P-925549 | 90 | As is | 36 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 331.748 |
| logP | 2.8993 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 88.804 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
