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MCULE-8547713943
Compound
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- InChIKey:
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- 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 | 66 USD | 90 | 10 working days | Get Quote |
| 5 mg | 82 USD | 90 | 10 working days | Get Quote |
| 10 mg | 112 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8547713943.sdf |
| SMILES | MCULE-8547713943.smiles |
| Standard InChI | MCULE-8547713943.inchi |
| InChIKey | MCULE-8547713943.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852128559 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-890171554 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-454389219 | Key Organics | Building Blocks | 90 | As is | 1.436 g |
| P-18764379 | Key Organics | Screening Compounds and Fragments | 90 | As is | 1.436 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.308 |
| logP | 2.32 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 78.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.8755 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
