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MCULE-8151484959
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 | 438 USD | 95 | 27 working days | Get Quote |
| 5 mg | 438 USD | 95 | 27 working days | Get Quote |
| 10 mg | 438 USD | 95 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8151484959.sdf |
| SMILES | MCULE-8151484959.smiles |
| Standard InChI | MCULE-8151484959.inchi |
| InChIKey | MCULE-8151484959.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867604615 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875762358 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-596932203 | Angene | Building Blocks in stock | 99 | As is | 5 mg |
| P-864242141 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580310340 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-596561992 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-893890270 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 380.222 |
| logP | 4.7269 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 90.46 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 99.9649 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
