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MCULE-8052911654
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 | 45 USD | 90 | 21 working days | Get Quote |
| 5 mg | 69 USD | 90 | 21 working days | Get Quote |
| 10 mg | 80 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8052911654.sdf |
| SMILES | MCULE-8052911654.smiles |
| Standard InChI | MCULE-8052911654.inchi |
| InChIKey | MCULE-8052911654.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886271518 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-578517084 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-22344299 | ChemDiv | New Chemistry Library | 90 | As is | 53 mg |
| P-579490104 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 90 mg |
| P-454357178 | Key Organics | Screening Compounds and Fragments | 90 | As is | 50 mg |
| P-14636467 | Life Chemicals | Screening Compounds | 90 | As is | 207 mg |
| P-859960998 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 421.469 |
| logP | 1.9166 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 115.32 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 110.5527 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 23 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
