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MCULE-6080481770-1
Structure
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- InChI:
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| 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 | 44 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 90 | 21 working days | Get Quote |
| 10 mg | 85 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6080481770-1.sdf |
| SMILES | MCULE-6080481770-1.smiles |
| Standard InChI | MCULE-6080481770-1.inchi |
| InChIKey | MCULE-6080481770-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502468638 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-617709920 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 576 mg |
| P-13179091 | Otava | In-House Stock Library | 90 | As is | 576 mg |
| P-888439266 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.282 |
| logP | 2.6304 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 89.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.1534 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| 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 | 3 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
