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MCULE-8991704542
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 | 22 USD | 95 | 15 working days | Get Quote |
| 5 mg | 22 USD | 95 | 15 working days | Get Quote |
| 10 mg | 22 USD | 95 | 15 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8991704542.sdf |
| SMILES | MCULE-8991704542.smiles |
| Standard InChI | MCULE-8991704542.inchi |
| InChIKey | MCULE-8991704542.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867697513 | 95 | As is | in stock |
| P-875878252 | 95 | As is | in stock |
| P-903375141 | 95 | As is | 5 g |
| P-1270391976 | 95 | As is | in stock |
| P-851939142 | N/A | As is | in stock |
| P-888830252 | 95 | As is | 1000 mg |
| P-1274811417 | 95 | As is | by resynthesis (? - ? days) |
| P-889581006 | 95 | As is | in stock |
| P-851146096 | 95 | As is | 3.4 g |
| P-889732671 | 95 | As is | by synthesis |
| P-1273141119 | 95 | As is | 5 g |
| P-895703303 | 95 | As is | by synthesis |
| P-906791049 | 95 | As is | by synthesis |
| P-906874067 | 98 | As is | by synthesis |
| P-906870699 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.244 |
| logP | 0.5508 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 80.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.8406 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
