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MCULE-5684188404
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 | 47 USD | 90 | 21 working days | Get Quote |
| 5 mg | 75 USD | 90 | 21 working days | Get Quote |
| 10 mg | 90 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5684188404.sdf |
| SMILES | MCULE-5684188404.smiles |
| Standard InChI | MCULE-5684188404.inchi |
| InChIKey | MCULE-5684188404.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885961427 | A2B Chem | Predominantly Building Block on demand | 96 | As is | by synthesis |
| P-867524282 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889995858 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-881109610 | Angene | Building Blocks in stock | 96 | As is | 9.99 g |
| P-889544288 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-887324235 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-613333076 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-620067976 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620223161 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-855285254 | Toronto Research | In stock | 90 | As is | in stock |
| P-894008384 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 294.347 |
| logP | 2.023 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 49.41 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 91.7437 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
