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MCULE-3135517908
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 | 12 USD | 99 | 20 working days | Get Quote |
| 5 mg | 12 USD | 99 | 20 working days | Get Quote |
| 10 mg | 12 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3135517908.sdf |
| SMILES | MCULE-3135517908.smiles |
| Standard InChI | MCULE-3135517908.inchi |
| InChIKey | MCULE-3135517908.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612885132 | A2B Chem | Predominantly Building Block on demand | 99 | As is | by synthesis |
| P-890143365 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-578505128 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-596945571 | Angene | Building Blocks in stock | 99 | As is | 400 g |
| P-596597442 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-579399583 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885530662 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-3025898 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.006 g |
| P-464689846 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.006 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.460 |
| logP | 3.8384 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.37 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 95.2108 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 30 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
