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MCULE-8808567472
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 | 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-8808567472.sdf |
| SMILES | MCULE-8808567472.smiles |
| Standard InChI | MCULE-8808567472.inchi |
| InChIKey | MCULE-8808567472.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875840023 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-97362 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-886652227 | A2B Chem | Predominantly Building Block in stock | 95 | As an isomer | in stock |
| P-869235954 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-889801841 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
| P-454397213 | Key Organics | Building Blocks | 90 | As an isomer | 1.135 g |
| P-18772106 | Key Organics | Screening Compounds and Fragments | 90 | As an isomer | 1.135 g |
| P-454088488 | Specs | Screening Compounds | 90 | As an isomer | 17 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.239 |
| logP | 2.5913 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 81.65 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.2865 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
